0000000000001098

AUTHOR

Joan Cano

showing 381 related works from this author

Magnetic coupling and spin topology in linear oxalato-bridged tetranuclear chromium(III)–copper(II) complexes with aromatic diimine ligands

2013

Abstract A novel heterotetranuclear chromium(III)–copper(II) complex of formula {[CrIII(bpy)(ox)2]2CuII2(bpy)2(ox)}·6H2O (1) has been synthesized by the ligand exchange reaction between Ph4P[CrIII(bpy)(ox)2]·H2O and [CuII(bpy)2(NO3)]NO3·MeOH in methanol (bpy = 2,2′-bipyridine; ox2− = oxalate dianion). The X-ray crystal structure of 1 consists of neutral oxalato-bridged CrIII2Cu2II zigzag entities which are formed by the monodentate coordination of two [CrIII(bpy)(ox)2]− mononuclear anionic units through one of its two oxalato groups toward a [CuII2(bpy)2(ox)]2+ dinuclear cationic moiety featuring relatively long axial bonds at the square pyramidal CuII ions. Variable temperature (2.0–300 K)…

Inorganic ChemistryMagnetizationDenticitySpin statesChemistryLigandMaterials ChemistryCrystal structurePhysical and Theoretical ChemistryTopologyMagnetic susceptibilitySquare pyramidal molecular geometryDiiminePolyhedron
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σ-Hammett parameter: a strategy to enhance both photo- and electro-luminescence features of heteroleptic copper(i) complexes

2017

This work studies the effect of the σ-Hammett parameter (σp) – i.e., the σ-donation effect caused by substitution at the para position of a bipyridine ligand (4,4′-R2bipy, where R is MeO, Me, H, NO2) – on both the photo- and electro-luminescence features of a series of heteroleptic copper(I) complexes – i.e., [Cu(N^N)(P^P)]+ where N^N and P^P ligands are R2bipy and Xantphos, respectively. By virtue of a comprehensive photophysical, theoretical, and thin-film lighting device – i.e., light-emitting electrochemical cells (LECs) – investigation, we note a clear relationship between the σp and the photo- and electro-luminescence parameters, such as photoluminescence quantum yields, excited-state…

PhotoluminescenceXantphosLigandchemistry.chemical_element02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyPhotochemistry01 natural sciencesCopper0104 chemical sciencesElectrochemical cellInorganic ChemistryPara positionchemistry.chemical_compoundBipyridinechemistryElectro luminescencePhysical chemistry0210 nano-technologyDalton Transactions
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Discrete trinuclear copper(II) compounds as building blocks: the influence of the peripheral substituents on the magnetic coupling in oxamato-bridged…

2014

Two new trinuclear copper(ii) complexes without end-capping ligands, (Bu4N)2[Cu(dmso)2{Cu(dnopba)(dmso)}2] () and (Bu4N)2[Cu(dmso)2{Cu(dcopba)(dmso)}2] () [dnopba = 4,5-dinitro-ortho-phenylenebis(oxamate), dcopba = 4,5-dichloro-ortho-phenylenebis(oxamate), Bu4N(+) = tetra-n-butylammonium and dmso = dimethylsulfoxide], were synthesized and their structures were determined by single crystal X-ray diffraction. The crystal structures of and consist of two outer bis(oxamato)(dmso)cuprate(ii) units which act as bidentate ligands toward a trans-bis(dmso)copper(ii) inner entity leading to centrosymmetric tricopper(ii) complexes with copper-copper separations across the oxamate bridges of 5.1916(3) …

Inorganic ChemistryCrystallographyDenticityLigandPhenyleneChemistryStereochemistryMoleculechemistry.chemical_elementCuprateCrystal structureCopperSquare pyramidal molecular geometryDalton transactions (Cambridge, England : 2003)
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Heterotrimetallic coordination polymers: {Cu(II)Ln(III)Fe(III)} chains and {Ni(II)Ln(III)Fe(III)} layers: synthesis, crystal structures, and magnetic…

2015

The use of the [Fe(III) (AA)(CN)4](-) complex anion as metalloligand towards the preformed [Cu(II) (valpn)Ln(III)](3+) or [Ni(II) (valpn)Ln(III) ](3+) heterometallic complex cations (AA=2,2'-bipyridine (bipy) and 1,10-phenathroline (phen); H2 valpn=1,3-propanediyl-bis(2-iminomethylene-6-methoxyphenol)) allowed the preparation of two families of heterotrimetallic complexes: three isostructural 1D coordination polymers of general formula {[Cu(II) (valpn)Ln(III) (H2O)3 (μ-NC)2 Fe(III) (phen)(CN)2 {(μ-NC)Fe(III) (phen)(CN)3}]NO3 ⋅7 H2O}n (Ln=Gd (1), Tb (2), and Dy (3)) and the trinuclear complex [Cu(II) (valpn)La(III) (OH2 )3 (O2 NO)(μ-NC)Fe(III) (phen)(CN)3 ]⋅NO3 ⋅H2O⋅CH3 CN (4) were obtained …

ChemistryLigandOrganic ChemistryInorganic chemistryGeneral ChemistryCrystal structureCatalysisMagnetizationchemistry.chemical_compoundBipyridineCrystallographyX-ray crystallographyMoleculeIsostructuralAcetonitrileChemistry (Weinheim an der Bergstrasse, Germany)
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Syntheses, crystal structures, and magnetic properties of metal-organic hybrid materials of Mn(II)/Co(II): three-fold interpenetrated alpha-polonium-…

2014

Three new 1,4-phenylenediacrylate bridged Mn(II) and Co(II) complexes of molecular formulas {[Mn2(ppda)(phen)4(H2O)2](ppda)2(H2O)} (1), {[Co(ppda)- (dpyo)(H2O)3]·4(H2O)}n (2), and {[Co(ppda)(bpe)]·(0.5H2O)}n (3) [ppda = 1,4- phenylenediacrylate; phen = 1,10-phenanthroline; dpyo = 4,4′-dipyridyl N,N′-dioxide; bpe = 1,2-bis(4-pyridyl)ethane] have been synthesized and characterized by elemental analysis, IR spectra, single-crystal X-ray diffraction studies, and low-temperature magnetic measurements. The structural determination reveals that complex 1 is a discrete dinuclear species, 2 is a 1D polymeric chain, while 3 is a three-fold interpenetrated α-polonium network. Hydrogen-bonding interact…

Chemistry (all); Materials Science (all); Condensed Matter PhysicsChemistryInorganic chemistryChemistry (all)Supramolecular chemistryStackingInfrared spectroscopyAromaticityGeneral ChemistryCrystal structureCondensed Matter PhysicsLigandsMetalCrystallographyLligandsvisual_artvisual_art.visual_art_mediumMoleculeGeneral Materials ScienceMaterials Science (all)Hybrid materialEstructura cristal·lina (Sòlids)Layer structure (Solids)
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Functionalisation of MoS2 2D layers with diarylethene molecules

2021

Functionalisation of two dimensional (2D) materials with stimuli-responsive molecules has been scarcely investigated. Here, MoS2 layers obtained by chemical exfoliation are covalently and non-covalently functionalised using two photoswitchable diarylethene derivatives under their open- and closed-ring isomers. The choice of these light-responsive molecules is based on their excellent thermal irreversibility and fatigue resistance. The characterisation of the resultant molecular/2D heterostructures proves the successful anchoring of the molecules by both approaches as well as the influence that the driving interaction has in the photoswitching behaviour of the diarylethene isomers after thei…

Materials scienceHeterojunction02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyPhotochemistry01 natural sciencesExfoliation joint0104 chemical sciencesElectrònica molecularFatigue resistancechemistry.chemical_compoundDiarylethenechemistryCovalent bondMaterials ChemistryMolecule0210 nano-technologyMaterialsLayer (electronics)Journal of Materials Chemistry C
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Ferromagnetic Coupling through Spin Polarization in a Dinuclear Copper(II) Metallacyclophane.

2001

[DT] Von organischen Radikalen zu Metallkomplexen konnte das bekannte Konzept für Ferroelektrika erfolgreich ausgedehnt werden: Die Abbildung zeigt ein Cyclophan-artiges Molekül mit einem Triplett-Grundzustand, in dem zwei CuII-Zentren von einem doppelten m-Phenylendiamid-Gerüst zusammengehalten werden.

CouplingSpin polarizationChemistryRadicalchemistry.chemical_elementGeneral MedicineGeneral ChemistryCopperCatalysisMetalCrystallographychemistry.chemical_compoundNuclear magnetic resonanceFerromagnetismvisual_artFISICA APLICADAvisual_art.visual_art_mediumMoleculeCyclophaneAngewandte Chemie (International ed. in English)
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Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear CoII Compounds

2017

A family of tetrahedral mononuclear CoII complexes with the cytosine nucleobase ligand is used as the playground for an in-depth study of the effects that the nature of the ligand, as well as their noninnocent distortions on the Co(II) environment, may have on the slow magnetic relaxation effects. Hence, those compounds with greater distortion from the ideal tetrahedral geometry showed a larger-magnitude axial magnetic anisotropy (D) together with a high rhombicity factor (E/D), and thus, slow magnetic relaxation effects also appear. In turn, the more symmetric compound possesses a much smaller value of the D parameter and, consequently, lacks single-ion magnet behavior.

010405 organic chemistryStereochemistryChemistryLigandTetrahedral molecular geometry010402 general chemistry01 natural sciences0104 chemical sciencesNucleobaseInorganic ChemistryTurn (biochemistry)Magnetic anisotropychemistry.chemical_compoundMagnetTetrahedronPhysical and Theoretical ChemistryCytosineInorganic Chemistry
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NMR Spectroscopic Characterization and DFT Calculations of Zirconium(IV)-3,3′-Br2–BINOLate and Related Complexes Used in an Enantioselective Friedel–…

2012

Experimental and theoretical studies on the structure of several complexes based on (R)-3,3'-Br-2-BINOL ligand and group (IV) metals used as catalysts in an enantioselective Friedel-Crafts alkylation of indoles with alpha,beta-unsaturated ketones have been carried out. NMR spectroscopic studies of these catalysts have been performed, which suggested that at room temperature the catalysts would form a monomeric structure in the case of Ti-IV and a dimeric structure in the cases of Zr-IV and Hf-IV. Density functional theory (DFT) calculations clearly corroborate the conclusions of these experimental spectroscopic studies. The dimeric structure with a doubly bridged motif [Zr-2(IV)(mu-(R)-3,3'…

Indole testIndolesMagnetic Resonance SpectroscopyAlkylationMolecular StructureStereochemistryLigandOrganic ChemistryEnantioselective synthesisStereoisomerismNaphtholsKetonesAlkylationMedicinal chemistryCatalysischemistry.chemical_compoundMonomerchemistryFISICA APLICADADensity functional theoryZirconiumFriedel–Crafts reactionThe Journal of Organic Chemistry
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Efficient Gas Separation and Transport Mechanism in Rare Hemilabile Metal–Organic Framework

2019

Understanding/visualizing the established interactions between gases and adsorbents is mandatory to implement better performance materials in adsorption/separation processes. Here we report the unique behavior of a rare example of a hemilabile chiral three-dimensional metal–organic framework (MOF) with an unprecedented qtz-e-type topology, with formula CuII2(S,S)-hismox·5H2O (1) (hismox = bis[(S)-histidine]oxalyl diamide). 1 exhibits a continuous and reversible breathing behavior, based on the hemilability of carboxylate groups from l-histidine. In situ powder (PXRD) and single crystal X-ray diffraction (SCXRD) using synchrotron radiation allowed us to unveil the crystal structures of four …

Materials scienceGeneral Chemical EngineeringQuímica organometàl·lica02 engineering and technologyCrystal structure010402 general chemistry01 natural scienceschemistry.chemical_compoundAdsorptiontransport mechanismMaterials ChemistryGas separationCarboxylateQuímica InorgánicaGas separationGeneral ChemistryMetal Organic FrameworkCiència dels materials021001 nanoscience & nanotechnologyEfficient gas separation0104 chemical scienceschemistryHemilabilityPhysical chemistryRare hemilabile metal-organic frameworkmixed matrix membranesMetal-organic frameworkTransport mechanism0210 nano-technologySingle crystalPowder diffractionChemistry of Materials
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Mono-, di- and trinuclear 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz)-containing copper(II) complexes: syntheses, crystal structures and magnetic prop…

2004

Three new copper(ii) complexes of formula [Cu(tppz)(NCO)(2)].0.4H(2)O (1), [Cu(2)(tppz)Br(4)](2) and [Cu(3)(tppz)(C(5)O(5))(3)(H(2)O)(3)].7H(2)O (3)[tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine; C(5)O(5)(2-) = croconate, dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione] have been synthesised and structurally characterized by X-ray diffraction methods. The structure of complex is made up of neutral [Cu(tppz)(NCO)(2)] mononuclear units and uncoordinated water molecules. The mononuclear units are grouped by pairs to give a rather short copper-copper distance of 3.9244(4) angstroms. The structure of complex 1 consists of neutral tppz-bridged [Cu(2)(tppz)Br(4)] dinuclear units, the copper-copp…

DenticityPyrazineChemistryStereochemistryDimerchemistry.chemical_elementCrystal structureCopperInorganic Chemistrychemistry.chemical_compoundCrystallographyIntramolecular forceAntiferromagnetismMoleculeDalton transactions (Cambridge, England : 2003)
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Towards a better understanding of honeycomb alternating magnetic networks.

2015

Two new two-dimensional homometallic compounds {[M2(bpm)(ox)2]n·5nH2O} with M = Co(II) (1) and Zn(II) (2) and the mononuclear nickel(II) complex [Ni(bpm)2(ox)]·2H2O (3) [bpm = 2,2'-bipyrimidine and ox = oxalate] have been prepared and structurally characterized. 1 and 2 are isostructural compounds whose structures are made up of oxalate-bridged M(II) cations cross-linked by bis-bidentate bpm molecules to afford a honeycomb layered network extending in the crystallographic ab plane. The layers are eclipsed along the crystallographic c axis and show graphitic-like interactions between the bpm rings. The three-dimensional supramolecular network deriving from such interactions is characterized …

Inorganic Chemistrychemistry.chemical_compoundNickelCrystallographyOctahedronchemistrychemistry.chemical_elementMoleculeDensity functional theoryElectronic structureIsostructuralMagnetic susceptibilityOxalateDalton transactions (Cambridge, England : 2003)
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Rational Design of an Enneanuclear Copper(II) Complex with a Metallacyclophane Core

2004

chemistry.chemical_compoundchemistryCore (graph theory)Polymer chemistryRational designchemistry.chemical_elementGeneral MedicineGeneral ChemistryCopperCombinatorial chemistryCatalysisCyclophaneAngewandte Chemie International Edition
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Field-induced slow magnetic relaxation and magnetocaloric effects in an oxalato-bridged gadolinium(iii)-based 2D MOF

2021

The coexistence of field-induced slow magnetic relaxation and moderately large magnetocaloric efficiency in the supra-Kelvin temperature region occurs in the 2D compound [GdIII2(ox)3(H2O)6]n·4nH2O (1), a feature that can be exploited in the proof-of-concept design of a new class of slow-relaxing magnetic materials for cryogenic magnetic refrigeration.

Inorganic ChemistryMaterials scienceCondensed matter physicschemistryField (physics)Feature (computer vision)GadoliniumMagnetic refrigerationchemistry.chemical_elementMagnetic relaxationDalton Transactions
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Rational design of a new class of heterobimetallic molecule-based magnets: Synthesis, crystal structures, and magnetic properties of oxamato-bridged …

2008

Abstract Two new series of oxamato-bridged heterobimetallic coordination networks of general formula Li5[Li3M2(mpba)3(H2O)6] · 31H2O [M = NiII (1a) and CoII (1b)] and Li2[Mn3M2(mpba)3(H2O)6] · 22H2O [M = NiII (2a) and CoII (2b)] have been prepared from the metal-mediated self-assembly of the hexakis(bidentate), triple-stranded dinickel(II) and dicobalt(II) complexes [M2(mpba)3]8− [mpba = meta-phenylenebis(oxamato)] with either monovalent lithium(I) or divalent manganese(II) ions respectively, in water. X-ray structural analyses of 1a and 1b show an anionic three-dimensional network formed by an infinite parallel array of oxamato-bridged Li 3 I M 2 II (M = Ni and Co) hexagonal layers, which …

Condensed matter physicsChemistryCrystal structureMagnetic susceptibilityInorganic ChemistryMagnetic anisotropyParamagnetismMagnetizationCrystallographyFerrimagnetismMaterials ChemistryDiamagnetismPhysical and Theoretical ChemistryMolecule-based magnetsInorganica Chimica Acta
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Sheets of alternating chirality in the structure of a novel iron(III) complex with a cyclic oxamide ligand

1998

An organic–metalloorganic analogue of the inorganic clay minerals has been obtained from the cyclization of N,N′-bis(ethoxalyl)phenylenediamine in basic medium in the presence of iron(III) ions leading to formation of a cyclic oxamide ligand (L). The combination of intramolecular (covalent) interactions between metal and ligand and intermolecular (noncovalent) ionic interactions creates a novel layered compound with an intriguing crystal structure (shown on the right).

LigandStereochemistryOxamideIntermolecular forceIonic bondingGeneral ChemistryCrystal structureCatalysisCrystallographychemistry.chemical_compoundchemistryCovalent bondIntramolecular forceChirality (chemistry)
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Metamorphosis of a butterfly: synthesis, structural, thermal, magnetic and DFT characterisation of a ferromagnetically coupled tetranuclear copper(ii…

2007

The reaction in water of Cu(OH)(2) with 2,2'-bipyridine (bipy) and (NH(4))(2)HPO(4) in a 4 : 4 : 2 molar ratio under an inert atmosphere leads to the formation of a tetranuclear copper(II) complex of formula {[(H(2)O)(2)Cu(4)(bipy)(4)(mu(4)-PO(4))(2)(mu(2)-OH)] x 0.5 HPO(4) x 15.5 H(2)O}, 1, with butterfly topology. The structure of the tetranuclear core in 1 consists of four crystallographically unique copper(II) ions in approximate square-pyramidal geometry with each coordinated to a bipy ligand and interacting through two mu(4)-O,O',O''-phosphate bridges. Additional bridging between Cu(3) and Cu(4) is provided by a hydroxide ligand, whereas two water molecules cap the Cu(1) and Cu(2) squ…

Models MolecularChemistryLigandInorganic chemistryTemperaturechemistry.chemical_elementChromophoreCrystallography X-RayCopperMagnetic susceptibilityIonInorganic ChemistryMagneticsCrystallographychemistry.chemical_compoundModels ChemicalIntramolecular forceOrganometallic CompoundsMoleculeHydroxideCopperDalton Transactions
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Single-Ion Magnetic Behavior in CoII-CoIII Mixed-Valence Dinuclear and Pseudodinuclear Complexes

2017

Two CoII–CoIII mixed-valence complexes of molecularformulas [Co2(H2L)2(H2O)2][Co2(H2L)2(H2O)(m-phth)]·8(H2O) {1;H2L2–= 2-[(2-hydroxy-3-methoxybenzylidene)amino]-2-(hydroxymethyl)propane-1,3-diolato, m-phth = 1,3-benzene-dicarboxylate} and [Co4(H2L)4(H2O)2(ppda)]·2(dmf)·3.2(H2O) {2;ppda = 1,4-phenylenediacrylate; dmf = N,N-dimethyl-formamide} were synthesized and characterized by single-crys-tal X-ray diffraction and magnetic studies at low temperature.The structural determination reveals that 1 is composed of di-nuclear ion pairs, namely, a cationic [Co2(H2L)2(H2O)2]+(1+) andan anionic [Co2(H2L)2(H2O)(m-phth)]–(1–) unit. In each of these ions, the CoIIand CoIIIcenters present distorted octa…

Valence (chemistry)Single ion010405 organic chemistryChemistryStructure elucidationInorganic chemistrychemistry.chemical_elementCrystal structureCobalt010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographyMagnetic propertiesSingle-ion magnetsMagnetic propertieSingle-ion magnetCobaltCobalt; Magnetic properties; Single-ion magnets; Structure elucidation; Inorganic Chemistry
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Enantioselective self-assembly of antiferromagnetic hexacopper(ii) wheels with chiral amino acid oxamates

2013

The Cu(2+)-mediated self-assembly of oxamato-based ligands derived from either the (S)- or (R)-enantiomers of the amino acid valine leads to the formation of two antiferromagnetically coupled homochiral anionic hexacopper(II) wheels in the presence of templating tetramethylammonium countercations.

chemistry.chemical_classificationTetramethylammoniumStereochemistryMagnetic PhenomenaMetals and AlloysEnantioselective synthesisStereoisomerismValineGeneral ChemistryLigandsCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAmino acidchemistry.chemical_compoundchemistryCoordination ComplexesValineMaterials ChemistryCeramics and CompositesAntiferromagnetismSelf-assemblyCopperChemical Communications
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Ferromagnetic coupling through the oxalate bridge in heterobimetallic Cr(III)–M(II) (M = Mn and Co) assemblies

2019

Abstract Two novel compounds, {[Cr(pyim)(ox)2]2Mn}n·2nCH3OH (1) and {[Cr(pyim)(ox)2]2Co(H2O)2}·7.5H2O (2) [pyim = 2-(2′-pyridyl)imidazole and H2ox = oxalic acid], were synthesized by using the mononuclear chromium(III) complex PPh4[Cr(pyim)(ox)2]·H2O (PPh4+ = tetraphenylphosphonium) as metalloligand towards the fully solvated manganese(II) (1) and cobalt(II) (2) ions as perchlorate salts. The structure of 1 consists of neutral double chains, with diamond-shaped units sharing the manganese(II) ions with the two other corners being occupied by the chromium(III) ions. The two metal centres in 1 are connected by bis-bidentate oxalate groups, each [CrIII(pyim)(ox)2]− unit being bound to two mang…

Denticity010405 organic chemistryChemistryGeneral Chemical EngineeringOxalic acidchemistry.chemical_elementGeneral ChemistryManganese010402 general chemistry01 natural sciencesOxalate0104 chemical sciencesPerchloratechemistry.chemical_compoundChromiumCrystallographyImidazoleCobaltComptes Rendus Chimie
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A Binuclear MnIII Complex of a Scorpiand-Like Ligand Displaying a Single Unsupported MnIII–O–MnIII Bridge

2012

The crystal structure of a binuclear Mn(III) complex of a scorpiand-like ligand (L) displays an unsupported single oxo bridging ligand with a Mn(III)-O-Mn(III) angle of 174.7°. Magnetic susceptibility measurements indicate strong antiferromagnetic coupling between the two metal centers. DFT calculations have been carried out to understand the magnetic behavior and to analyze the nature of the observed Jahn-Teller distortion. Paramagnetic (1)H NMR has been applied to rationalize the formation and magnetic features of the complexes formed in solution.

Models MolecularManganeseMagnetic Resonance SpectroscopyChemistryLigandBridging ligandNuclear magnetic resonance spectroscopyCrystal structureCrystallography X-RayLigandsMagnetic susceptibilityInorganic ChemistryMetalCrystallographyParamagnetismCoordination Complexesvisual_artMagnetsvisual_art.visual_art_mediumProton NMRPhysical and Theoretical ChemistryOxygen CompoundsInorganic Chemistry
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[Cr(dpa)(ox)2]–: a new bis-oxalato building block for the design of heteropolymetallic systems. Crystal structures and magnetic properties of PPh4[Cr…

2001

[EN] The new complexes of formulae PPh4[Cr(dpa)(ox)(2)] (1), AsPh4[Cr(dpa)(OX)(2)] (2), Hdpa[Cr(dpa)(ox)(2)]-4H(2)O (3), Rad[Cr(dpa)(ox)(2)] . H2O (4) and Sr[Cr(dpa)(ox)(2)](2) . 8H(2)O (5) [PPh4 = tetraphenylphosphonium cation; AsPh4 = tetraphenylarsoniurn cation; dpa = 2,T-dipyridylamine; ox = oxalate dianion; Rad = 2-(4-N-methylpyridinium)4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-a-oxyl-3-N-oxide] have been prepared and characterised by single-crystal X-ray diffraction. The structures of 1-4 consist of discrete [Cr(dpa)(ox)(2)](-) anions, tetraphenylphosphonium. (1), tetraphenylarsonium (2), monoprotonated Hdpa (3) and univalent radical (4) cations and uncoordinated water molecules (2-…

Metal ions in aqueous solutionInorganic chemistryLinear trichromium complexeschemistry.chemical_elementNitronyl nitroxide radicalsCrystal structureChlorideCatalysisOxalateElectronic-Propertieschemistry.chemical_compoundChromiumMaterials ChemistryMoleculeCr contactsMonohydrateMolecular-StructureChemistryLigandGeneral ChemistryAtoms LiCrystallographyGaussian-Basis setsOctahedronFISICA APLICADACopper(II) complexesChirality (chemistry)New Journal of Chemistry
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Magnetic phase transition and magnetic bistability in oxamato-based CoIICuII bimetallic MOF thin films

2019

Abstract Thin films of an anionic oxamato-bridged cobalt(II)–copper(II) 3D MOF have been growth at 120 °C in DMSO through a one-pot reaction from Co(NO3)2·6H2O and (Me4N)2[Cu(2,6-Et2pa)2]·6H2O (2,6-Et2pa = N-2,6-diethylphenyloxamate) over Si(111) surfaces functionalized with carboxylic acid terminating groups. These heterobimetallic CoII2CuII3 MOF thin films (2) of about ten nanometers thickness show a ferrimagnetically ordered phase below ca. 10 K with a relatively large magnetic hysteresis similar to that of the bulk material of formula (Me4N)2[Co2Cu3(2,6-Et2pa)6]·5H2O (1).

chemistry.chemical_classification010405 organic chemistryCarboxylic acidchemistry.chemical_element010402 general chemistryMagnetic hysteresis01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographychemistryPhase (matter)Materials ChemistryMagnetic phase transitionNanometrePhysical and Theoretical ChemistryThin filmCobaltBimetallic stripPolyhedron
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First Magnetostructural Study on a Heterodinuclear 2,2′-Bipyrimidine-Bridged Complex

2011

The use of the [ReCl(4)(bpym)] precursor as a ligand toward the fully solvated nickel(II) metal ion affords the first example of a 2,2'-bipyrimidine-bridged Re(IV)-Ni(II) complex, [ReCl(4)(μ-bpym)NiBr(2)(H(2)O)(2)] (1), whose intramolecular ferromagnetic coupling has been substantiated from both experimental and theoretical studies.

Inorganic ChemistryMetalCrystallographyNickelFerromagnetismStereochemistryChemistryLigandvisual_artIntramolecular forcevisual_art.visual_art_mediumchemistry.chemical_elementPhysical and Theoretical ChemistryInorganic Chemistry
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Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectro…

2019

Three dimanganese(iii) complexes have been synthesised and fully characterised by standard spectroscopic methods and spectroelectrochemistry. Each MnIII ion is chelated by a salen type ligand (H2L), but there is variation in the bridging group: LMn(OOCCH[double bond, length as m-dash]CHCOO)MnL, LMn(OOCC6H4COO)MnL, and LMn(OOCC6H4C6H4COO)MnL. X-ray diffraction revealed an axial compression of each six-coordinate high-spin d4 MnIII ion, which is a Jahn-Teller-active ion. Temperature dependent magnetic susceptibility and variable temperature-variable field (VTVH) magnetisation measurements, as well as high-frequency and -field EPR (HFEPR) spectroscopy were used to accurately describe the magne…

Materials scienceAbsorption spectroscopy010405 organic chemistryExchange interactionchemistry.chemical_elementManganese010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical scienceslaw.inventionIonInorganic ChemistryCrystallographyMagnetizationchemistrylawElectron paramagnetic resonanceSpectroscopyDalton Transactions
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Double-CO32− Centered [CoII5] Wheel and Modeling of Its Magnetic Properties

2010

A high-spin Co(II) cluster with a rare pentagonal molecular structure and formula [Co(5)(CO(3))(2)(bpp)(5)]ClO(4) (1; Hbpp is 2,6-bis(phenyliminomethyl)-4-methylphenolate) has been synthesized and characterized by single-crystal X-ray diffraction. This topology arises from fusing five [Co(2)(bpp)] moieties in a cyclic manner around two CO(3)(2-) central ligands, resulting in propeller-like configuration. The irregular coordination of the carbonate ions to the metal centers results in a combination of coordination numbers (CNs) of the Co(II) ions of five and six. The bulk magnetization of this complicated magnetically exchanged system has been modeled successfully by employing a matrix diago…

crystal structureCoordination numberInorganic chemistrycarbonatesCatalysisIonCoordination complexMetalMagnetizationCluster (physics)Moleculecarbonate ligandschemistry.chemical_classificationOrganic Chemistrycarbonate ligands; carbonates; cobalt; coordination chemistry; density functional calculations; magnetic properties; spin-orbit coupling; crystal structure.General ChemistrySpin–orbit interactioncobaltspin-orbit couplingCrystallographychemistryvisual_artdensity functional calculationscoordination chemistryvisual_art.visual_art_mediummagnetic propertiesChemistry - A European Journal
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Coligand Effects on the Field-Induced Double Slow Magnetic Relaxation in Six-Coordinate Cobalt(II) Single-Ion Magnets (SIMs) with Positive Magnetic A…

2019

Two mononuclear cobalt(II) compounds of formula [Co(dmphen)2(OOCPh)]ClO4·1/2H2O·1/2CH3OH (1) and [Co(dmbipy)2(OOCPh)]ClO4 (2) (dmphen = 2,9-dimethyl-1,10-phenanthroline, dmbipy = 6,6'-dimethyl-2,2'-bipyridine and HOOCPh = benzoic acid) are prepared and magnetostructurally investigated. Each cobalt(II) ion is six-coordinate with a distorted octahedral CoN4O2 environment. The complex cations are interlinked leading to supramolecular chains (1) and pairs (2) that grow along the crystallographic c-axis with racemic mixtures of (Δ,Λ)-Co units. FIRMS allowed us to directly measure the zero-field splitting between the two lowest Kramers doublets, which led to axial anisotropy values of 58.3 cm-1 ≤…

Arrhenius equation010405 organic chemistryRelaxation (NMR)chemistry.chemical_element010402 general chemistry01 natural sciences0104 chemical sciencesIonInorganic Chemistrysymbols.namesakeCrystallographyBipyridinechemistry.chemical_compoundMagnetic anisotropychemistrysymbolsPhysical and Theoretical ChemistryRaman spectroscopyAnisotropyCobaltInorganic chemistry
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Three different types of bridging ligands in a 3d-3d'-3d'' heterotrimetallic chain.

2017

A one-pot synthesis of a 3d–3d′–3d′′ heterotrimetallic coordination polymer with double diphenoxido, single cyanido and bis-bidentate oxalate as alternating bridges which exhibits an overall antiferromagnetic behaviour has been developed.

Inorganic Chemistrychemistry.chemical_compoundCrystallographyBridging (networking)chemistry010405 organic chemistryCoordination polymer010402 general chemistry01 natural sciencesOxalate0104 chemical sciencesDalton transactions (Cambridge, England : 2003)
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Single-Molecule-Magnet Fe Fe and Antiferromagnetic Fe Coordination Clusters

2019

Supported by endogenous (part of the ligand, in-built) phenoxo bridges provided by the ligand 2,6-bis[{{(5-bromo-2-hydroxybenzyl)}{(2-(pyridylethyl)}amino}methyl]-4-methylphenol) (H3L), in its deprotonated form, exogenous (not part of the ligand, externally added or generated) oxo-/hydroxo- and acetato-bridged [FeII4FeIII2(O)2(O2CMe)4(L)2]·4Et2O (1) and [FeIII4(OH)2(O2CMe)3(L)2](ClO4)·3MeCN·2H2O (2) coordination clusters have been synthesized and structurally characterized. Complexes 1 and 2 have μ4-O and μ3-OH bridges, respectively. Magnetic studies on 1 reveal slow magnetic relaxation below 2 K. Both in-phase ( χ'M) and out-of-phase (χ″M) magnetic susceptibility were found to be frequency…

Spin states010405 organic chemistryChemistryLigand010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesInorganic ChemistryCrystallographyDeprotonationMagnetAntiferromagnetismMagnetic relaxationSingle-molecule magnetPhysical and Theoretical Chemistry
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Field-induced single ion magnet behaviour of discrete and one-dimensional complexes containing [bis(1-methylimidazol-2-yl)ketone]-cobalt(II) building…

2021

International audience; We describe herein the first examples of six-coordinate CoII single-ion magnets (SIMs) based on the β-diimine Mebik ligand [Mebik = bis(1-methylimidazol-2-yl)ketone]: two mononuclear [CoII(Rbik)2L2] complexes and one mixed-valence {CoIII2CoII}n chain of formulas [CoII(Mebik)(H2O)(dmso)(μ-NC)2CoIII2(μ-2,5-dpp)(CN)6]n·1.4nH2O (3) [L = NCS (1), NCSe (2) and 2,5-dpp = 2,5-bis(2-pyridyl)pyrazine (3)]. Two bidentate Mebik molecules plus two monodentate N-coordinated pseudohalide groups in cis positions build somewhat distorted octahedral surroundings around the high-spin cobalt(II) ions in 1 and 2. The diamagnetic [CoIII2(μ-2,5-dpp)(CN)8]2− metalloligand coordinates the pa…

DenticityMaterials sciencePyrazine010405 organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciences0104 chemical scienceslaw.inventionInorganic ChemistryMagnetizationCrystallographyParamagnetismMagnetic anisotropychemistry.chemical_compoundchemistrylaw[CHIM]Chemical SciencesMoleculeElectron paramagnetic resonanceCobaltDalton transactions (Cambridge, England : 2003)
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A heteropentanuclear oxalato-bridged [ReIV 4GdIII] complex: synthesis, crystal structure and magnetic properties

2012

The compound (NBu 4) 5[Gd III{Re IVBr 4(μ-ox)} 4(H 2O)]·H 2O (1), with intramolecular antiferromagnetic coupling, is the first Re(iv) system incorporating a 4f ion. © 2012 The Royal Society of Chemistry.

StereochemistryChemistryMetals and AlloysGeneral ChemistryCrystal structureCatalysisAntiferromagnetic couplingSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyIntramolecular forceMaterials ChemistryCeramics and Composites
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Magnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chlorocyananilato)ferrate(III) Complex

2019

Electrocrystallization of the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) organic donor in the presence of the [Fe(ClCNAn)3]3– tris(chlorocyananilato)ferrate(III) paramagnetic anion in different stoichiometric ratios and solvent mixtures afforded two different hybrid systems formulated as [BEDT-TTF]4[Fe(ClCNAn)3]·3H2O (1) and [BEDT-TTF]5[Fe(ClCNAn)3]2·2CH3CN (2) (An = anilato). Compounds 1 and 2 present unusual structures without the typical segregated organic and inorganic layers, where layers of 1 are formed by Λ and Δ enantiomers of the anionic paramagnetic complex together with mixed-valence BEDT-TTF tetramers, while layers of 2 are formed by Λ and Δ enantiomers of the paramagnetic…

Crystal structure010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundParamagnetismMolecular interactionsMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistry010405 organic chemistry[CHIM.MATE]Chemical Sciences/Material chemistryMolecules3. Good health0104 chemical sciencesSolventCrystallographyMonomerchemistryRadical ionOligomersCrystal structuresSolventsStoichiometryTetrathiafulvaleneInorganic Chemistry
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Multielectron oxidation in a ferromagnetically coupled dinickel(ii) triple mesocate.

2015

Triple-stranded dinuclear nickel(ii) complexes of the meso-helicate type have been obtained from the new N,N'-1,3-phenylenebis(pyrazine-2-carboxamidate) ligand; they possess a multielectron redox behaviour featuring up to four stepwise, one-electron oxidation reactions of the two ferromagnetically coupled Ni(II) ions to afford the putative high-valent dinickel(iii) and dinickel(iv) species, as supported by theoretical calculations.

LigandStereochemistryMetals and Alloyschemistry.chemical_elementGeneral ChemistryRedoxCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonNickelCrystallographychemistryMaterials ChemistryCeramics and CompositesChemical communications (Cambridge, England)
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Incorporation of CrIII into a Keggin Polyoxometalate as a Chemical Strategy to Stabilize a Labile {CrIIIO4} Tetrahedral Conformation and Promote Unat…

2020

Polyoxometalates (POMs) provide rigid and highly symmetric coordination sites and can be used as a strategy for the stabilization of magnetic ions. Herein, we report a new member of the Keggin archetype, the Cr-centered Keggin anion [α-CrW12O40]5– (CrW12), with the unusual tetrahedral coordination of CrIII reported for the first time in POMs conferring unattended magnetic properties. POM chemistry has recently presented excellent examples of single-molecule and single-ion magnets (SMMs and SIMs) as well as molecular spin qubits; however, the majority of POM-based SIMs reported to date contain lanthanoid ions. CrW12, as the first example of a chromium(III) SIM, exhibits slow relaxation of ma…

LanthanideChemistryCommunicationRelaxation (NMR)chemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical sciencesIonCrystallographyMagnetizationChromiumColloid and Surface ChemistryMagnetPolyoxometalateQuantum tunnellingJournal of the American Chemical Society
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A two-dimensional oxamate- and oxalate-bridged Cu(II)Mn(II) motif: crystal structure and magnetic properties of (Bu4N)2[Mn2{Cu(opba)}2ox].

2013

A new compound of formula (Bu4N)2[Mn2{Cu(opba)}2ox] (1) [Bu4N(+) = tetra-n-butylammonium cation, H4opba = 1,2-phenylenebis(oxamic acid), and H2ox = oxalic acid] has been synthesized and magneto-structurally investigated. The reaction of manganese(II) acetate, [Cu(opba)](2-), and ox(2-) in dimethyl sulfoxide yielded single crystals of 1. The structure of 1 consists of heterobimetallic oxamato-bridged Cu(II)Mn(II) chains which are connected through bis-bidentate oxalate coordinated to the manganese(II) ions to afford anionic heterobimetallic layers of 6(3)-hcb net topology. The layers are interleaved by n-Bu4N(+) counterions. Each copper(II) ion in 1 is four-coordinate in a square planar envi…

LigandStereochemistrychemistry.chemical_elementManganeseCrystal structureCopperOxalateInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronchemistryAntiferromagnetismPhysical and Theoretical ChemistrySpin cantingInorganic chemistry
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Dicopper(II) Metallacyclophanes with Electroswitchable Polymethyl-Substitutedpara-Phenylene Spacers

2013

Double-stranded anionic dinuclear copper(II) metallacyclic complexes of the paracyclophane type [Cu2L2]4- have been prepared by the CuII-mediated self-assembly of different para-phenylenebis(oxamato) bridging ligands with either zero-, one-, or four-electron-donating methyl substituents (L=N,N′-para- phenylenebis(oxamate) (ppba; 1), 2-methyl- N,N′-para-phenylenebis(oxamate) (Meppba; 2), and 2,3,5,6-tetramethyl- N,N′-para-phenylenebis(oxamate) (Me4ppba; 3)). These complexes have been isolated as their tetra-n-butylammonium (1 a-3 a), lithium(I) (1 b-3 b), and tetraphenylphosphonium salts (1 c-3 c). The X-ray crystal structures of 1 a and 3 c show a parallel-displaced π-stacked conformation w…

Organic electronicsBromineOrganic electronicsOrganic Chemistrychemistry.chemical_elementGeneral ChemistryPhotochemistryCopperCatalysislaw.inventionIonDensity functional calculationsCrystallographychemistryMetallacycleslawPhenyleneIntramolecular forceMagnetic propertiesCyclic voltammetryElectron paramagnetic resonanceCopperRedox propertiesChemistry - A European Journal
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Dicopper(II) Anthraquinophanes as Multielectron Reservoirs for Oxidation and Reduction: A Joint Experimental and Theoretical Study

2014

Two new dinuclear copper(II) metallacyclophanes with 1,4-disubstituted 9,10-anthraquinonebis(oxamate) bridging ligands are reported that can reversibly take and release electrons at the redox-active ligand and metal sites, respectively, to give the corresponding mono- and bis(semiquinonate and/or catecholate) Cu(II)2 species and mixed-valent Cu(II)/Cu(III) and high-valent Cu(III)2 ones. Density functional calculations allow us to give further insights on the dual ligand- and metal-based character of the redox processes in this novel family of antiferromagnetically coupled di- copper(II) anthraquinophanes. This unique ability for charge storage could be the basis for the development of new k…

Models MolecularInorganic chemistrychemistry.chemical_elementAnthraquinonesElectronsElectron010402 general chemistry01 natural sciencesRedoxCatalysisMetal[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUSSpintronics010405 organic chemistryChemistryLigandOrganic ChemistryOxidation reductionGeneral ChemistryCopper0104 chemical sciencesCrystallographyvisual_artvisual_art.visual_art_mediumOxidation-ReductionCopper
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Synthesis Crystal Structure and Magnetic Properties of the Trinuclear Nickel(II) Complex Bis[(μ-thiocyanato-N)bis(μ-pyridazine-N1,N2)bis(thiocyanato-…

2000

Unusual single N-bridging thiocyanato and double pyridazine (pdz) bridges occur in the linear trinuclear nickel(II) complex of formula [Ni3(pdz)6(NCS)6]. The compound exhibits a quasi Curie law behavior, the antiferromagnetic coupling through the double 1,2-diazine links being nearly compensated by the ferromagnetic exchange through the single N-bridging thiocyanato.

Inorganic chemistryPDZ domainchemistry.chemical_elementCrystal structureAntiferromagnetic couplingInorganic ChemistryPyridazinechemistry.chemical_compoundCrystallographyNickelCurie's lawchemistryFerromagnetismPhysical and Theoretical ChemistryInorganic Chemistry
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Supramolecular coordination chemistry of aromatic polyoxalamide ligands: A metallosupramolecular approach toward functional magnetic materials

2010

Abstract The impressive potential of the metallosupramolecular approach in designing new functional magnetic materials constitutes a great scientific challenge for the chemical research community that requires an interdisciplinary collaboration. New fundamental concepts and future applications in nanoscience and nanotechnology will emerge from the study of magnetism as a supramolecular function in metallosupramolecular chemistry. Our recent work on the rich supramolecular coordination chemistry of a novel family of aromatic polyoxalamide (APOXA) ligands with first-row transition metal ions has allowed us to move one step further in the rational design of metallosupramolecular assemblies of …

chemistry.chemical_classificationMagnetismSupramolecular chemistryMolecular electronicsBridging ligandNanotechnologyCoordination complexInorganic ChemistryParamagnetismMagnetic anisotropychemistryMaterials ChemistryPhysical and Theoretical ChemistryTopology (chemistry)Coordination Chemistry Reviews
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A new tetranuclear defective dicubane azide-bridged cobalt(II) complex

2013

Abstract The new tetranuclear cobalt(II) complex with formula [Co4(N3)8(4,5-diazafluoren-9-one)4] (1) is reported. Complex 1 is a cobalt(II) defective dicubane azide-bridged compound showing only azido bridging ligands in the μ1,1– and μ1,1,1– coordination modes. The magnetic properties of 1 are reported. Magnetic susceptibility measurements indicate ferromagnetic coupling. The magnetic data have been fitted to 2 K by considering two different superexchange coupling constants. The out-of-phase signal χM″ displays frequency-dependence below approximately 9 K.

Coupling constantchemistry.chemical_elementCrystal structureMagnetic susceptibilityInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryFerromagnetismSuperexchangeMaterials ChemistryAzidePhysical and Theoretical ChemistryCobaltPolyhedron
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Dicopper(II) Metallacyclophanes with Oligo(p-phenylene-ethynylene) Spacers: Experimental Foundations and Theoretical Predictions on Potential Molecul…

2013

Two novel double-stranded dicopper(II) metallacyclophanes of formula (nBu4N)4[Cu2(dpeba)2]·4MeOH·2Et2O (1) and (nBu4N)4[Cu2(tpeba)2]·12H2O (2) have been prepared by the Cu(II)-mediated self-assembly of the rigid ('rod-like') bridging ligands N,N'-4,4'-diphenylethynebis(oxamate) (dpeba) and N,N'-1,4-di(4-phenylethynyl)phenylenebis(oxamate) (tpeba), respectively. Single crystal X-ray diffraction analysis of 1 confirms the presence of a dicopper(II)tetraaza[3.3]4,4'-diphenylethynophane metallacyclic structure featuring a very long intermetallic distance between the two square planar Cu(II) ions [r = 14.95(1) Å]. The overall parallel-displaced π-stacked conformation of the two nearly planar par…

ChemistryIntermetallicchemistry.chemical_elementDihedral angleCopperIonlaw.inventionInorganic ChemistryCrystallographylawPhenylenePerpendicularPhysical and Theoretical ChemistryElectron paramagnetic resonanceSingle crystalInorganic Chemistry
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Relatively strong intramolecular antiferromagnetic coupling in a neutral Cr(III)2Nb(V)2 heterobimetallic molecular square.

2015

A relatively large antiferromagnetic interaction between the two chromium(III) ions from the molecular square [{Cr(dmso)4}2{Nb(μ-O)2(C2O4)2}2] () (J = -12.0 cm(-1)) is mediated by the diamagnetic oxo-Nb(V)-oxo pathway, its nature and magnitude being substantiated by DFT type theoretical calculations.

ChemistryMetals and Alloyschemistry.chemical_elementGeneral ChemistryType (model theory)CatalysisAntiferromagnetic couplingSquare (algebra)Surfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyChromiumComputational chemistryIntramolecular forceMaterials ChemistryCeramics and CompositesDiamagnetismAntiferromagnetismChemical communications (Cambridge, England)
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Spin control in oxamato-based manganese(II)-copper(II) coordination polymers with brick-wall layer architectures.

2011

Two new heterobimetallic manganese(II)-copper(II) coordination polymers of formulas [Mn(2)Cu(2)(Me(3)mpba)(2)(H(2)O)(6)]·8H(2)O (1) and [Mn(2)Cu(2)(Me(4)ppba)(2)(H(2)O)(6)]·8H(2)O (2) [Me(3)mpba = 2,4,6-trimethyl-N,N'-1,3-phenylenebis(oxamate) and Me(4)ppba = 2,3,5,6-tetramethyl-N,N'-1,4-phenylenebis(oxamate)] have been synthesized following a molecular-programmed self-assembly method from the corresponding dicopper(II) complexes acting as metalloligands toward Mn(II) ions. 1 and 2 consist of neutral Mn(II)(2)Cu(II)(2) layers with a brick-wall structure made up of oxamato-bridged Mn(II)Cu(II) chains connected through double meta- (1) and para-substituted (2) permethylated phenylene spacers.…

chemistry.chemical_classificationChemistryStereochemistrychemistry.chemical_elementPolymerManganeseCopperInorganic ChemistryCrystallographyFerromagnetismFerrimagnetismPhenyleneAntiferromagnetismCurie temperaturePhysical and Theoretical ChemistryInorganic chemistry
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A heterobimetallic [MnII5CuII5] nanowheel modulated by a flexible bis-oxamate type ligand

2015

The synthesis, crystal structure and preliminary magnetic characterization of a new heterobimetallic [MnII5CuII5] wheel containing a flexible bis-oxamate type ligand are described. This decanuclear compound exhibits a relatively strong intra-wheel antiferromagnetic interaction leading to a ground spin state S = 10.

Inorganic ChemistrySpin statesLigandChemistryStereochemistryAntiferromagnetismCrystal structureType (model theory)Dalton Transactions
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Study of the influence of the bridge on the magnetic coupling in cobalt(II) complexes.

2009

Two new cobalt(II) complexes of formula [Co(2)(bta)(H(2)O)(6)](n) x 2nH(2)O (1) and [Co(phda)(H(2)O)](n) x nH(2)O (2) [H(4)bta = 1,2,4,5-benzenetetracarboxylic acid, H(2)phda = 1,4-phenylenediacetic acid] have been characterized by single crystal X-ray diffraction. Compound 1 is a one-dimensional compound where the bta(4-) ligand acts as 2-fold connector between the cobalt(II) ions through two carboxylate groups in para-conformation. Triply bridged dicobalt(II) units occur within each chain, a water molecule, a carboxylate group in the syn-syn conformation, and an oxo-carboxylate with the mu(2)O(1);kappa(2)O(1),O(2) coordination mode acting as bridges. Compound 2 is a three-dimensional comp…

Models MolecularStereochemistrychemistry.chemical_elementCobaltAtmospheric temperature rangeCrystallography X-RayInductive couplingIonInorganic Chemistrychemistry.chemical_compoundCrystallographyMagneticschemistryFerromagnetismOrganometallic CompoundsMoleculeCarboxylatePhysical and Theoretical ChemistryCobaltSingle crystalInorganic chemistry
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Oligo-m-phenyleneoxalamide Copper(II) Mesocates as Electro-Switchable Ferromagnetic Metal–Organic Wires

2010

Double-stranded copper(II) string complexes of varying nuclearity, from di- to tetranuclear species, have been prepared by the CuII-mediated self-assembly of a novel family of linear homo- and heteropolytopic ligands that contain two outer oxamato and either zero (1 b), one (2 b), or two (3 b) inner oxamidato donor groups separated by rigid 2-methyl-1,3-phenylene spacers. The X-ray crystal structures of these CuIIn complexes (n=2 (1 d), 3 (2 d), and 4 (3 d)) show a linear array of metal atoms with an overall twisted coordination geometry for both the outer CuN2O2 and inner CuN4 chromophores. Two such nonplanar all-syn bridging ligands 1 b–3 b in an anti arrangement clamp around the metal ce…

MetalCrystallographyFerromagnetismStereochemistryChemistryvisual_artOrganic Chemistryvisual_art.visual_art_mediumchemistry.chemical_elementGeneral ChemistryCopperCatalysis
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A five-coordinate manganese(iii) complex of a salen type ligand with a positive axial anisotropy parameter D.

2017

A new high-spin d4 roughly trigonal–bipyramidal (TBP) manganese(III) complex with a salen type ligand (H2L), namely MnL(NCS)·0.4H2O, has been synthesised and characterised by elemental analysis, ESI mass spectrometry, IR and UV-vis spectroscopy, and spectroelectrochemistry. X-ray diffraction analysis revealed an axial compression of the approximate TBP. Temperature dependent magnetic susceptibility and variable-temperature variable-field (VTVH) magnetisation measurements, as well as high-frequency and -field EPR (HFEPR) spectroscopy, were used to accurately describe the magnetic properties of this complex and, in particular, determine the spin Hamiltonian parameters: g-values and the zero-f…

Absorption spectroscopy010405 organic chemistryAnalytical chemistrychemistry.chemical_elementManganese010402 general chemistry01 natural sciencesMagnetic susceptibilitySpectral line0104 chemical scienceslaw.inventionInorganic ChemistryMagnetizationchemistrylawPhysical chemistryElectron paramagnetic resonanceAnisotropySpectroscopyDalton transactions (Cambridge, England : 2003)
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Reversible solvatomagnetic switching in a single-ion magnet from an entatic state

2016

We have developed a new strategy for the design and synthesis of multifunctional molecular materials showing reversible magnetic and optical switching.

Thermochromismgenetic structuresSingle ion010405 organic chemistryChemistrychemistry.chemical_elementEntatic stateNanotechnologyGeneral Chemistryequipment and supplies010402 general chemistry01 natural scienceseye diseases0104 chemical sciencesChemistryTransition metalMagnetMagnetic relaxationhuman activitiesCobaltQuantum computerChemical Science
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From Mononuclear Compounds to [2 × 2] Metallogrids: Ferromagnetically Coupled Systems Built by Nickel(II) and 3,6-Bis(2′-pyridyl)pyridazine (dppn)

2020

Mono-, di-, tri-, and tetranuclear compounds of nickel(II) of formula [Ni(dppn)3](NCS)2·0.5dppn (1), [{Ni(dppn)(NCS)}2(μ-dppn)(μ-NCS)]NCS (2), [Ni3(dppn)2(N3)2(μ-dppn)2(μ-N3)2](ClO4)2·CH3CH2OH·2H2O...

PyridazineNickelchemistry.chemical_compoundchemistrychemistry.chemical_elementGeneral Materials ScienceGeneral ChemistryCondensed Matter PhysicsMedicinal chemistryCrystal Growth & Design
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Field-Induced Hysteresis and Quantum Tunneling of the Magnetization in a Mononuclear Manganese(III) Complex

2013

International audience

[PHYS]Physics [physics]Field (physics)Condensed matter physicsChemistry010405 organic chemistrychemistry.chemical_elementGeneral ChemistryManganeseGeneral Medicine010402 general chemistry01 natural sciencesCatalysislaw.invention0104 chemical sciencesHysteresisMagnetizationNuclear magnetic resonancelawElectron paramagnetic resonanceQuantum tunnellingComputingMilieux_MISCELLANEOUS
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Magneto-structural correlations in a family of ReIVCuII chains based on the hexachlororhenate(IV) metalloligand

2017

Six novel one-dimensional chloro-bridged ReIVCuII complexes of formula {[Cu(L)4][ReCl6]}n, where L = imidazole (Imi, 1), 1-methylimidazole (Meim, 2), 1-vinylimidazole (Vim, 3), 1-butylimidazole (Buim, 4), 1-vinyl-1,2,4-triazole (Vtri, 5) and N,N’-dimethylformamide (DMF, 6) are characterised structurally, magnetically and theoretically. The structures exhibit significant differences in Cu–Cl bond lengths and Re–Cl–Cu bridging angles, resulting in large differences in the nature and magnitude of magnetic exchange interactions between the ReIV and CuII ions. Theoretical calculations reveal the coupling to be primarily ferromagnetic, increasing in magnitude as the bridging angle becomes smaller…

010405 organic chemistryStereochemistry010402 general chemistry01 natural sciences0104 chemical sciencesMagnetic exchangeIonInorganic ChemistryBond lengthchemistry.chemical_compoundCrystallographychemistryFerromagnetismImidazole
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Variation of the ground spin state in homo- and hetero-octanuclear copper(II) and nickel(II) double-star complexes with a meso-helicate-type metallac…

2011

Homo- and heterometallic octanuclear complexes of formula Na₂{[Cu₂(mpba)₃][Cu(Me₅dien)]₆}-(ClO₄)₆·12H₂O (1), Na₂{[Cu₂(Mempba)₃][Cu(Me₅dien)]₆}(ClO₄)₆·12H₂O (2), Na₂{[Ni₂(mpba)₃]-[Cu(Me₅dien)]₆}(ClO₄)₆·12H₂O (3), Na₂{[Ni₂(Mempba)₃][Cu(Me₅dien)]₆}(ClO₄)₆·9H₂O (4), {[Ni₂(mpba)₃][Ni(dipn)(H₂O)]₆}(ClO₄)₄·12.5H₂O (5), and {[Ni₂(Mempba)₃][Ni(dipn)-(H₂O)]₆}(ClO₄)₄·12H₂O (6) [mpba = 1,3-phenylenebis(oxamate), Mempba = 4-methyl-1,3-phenylenebis(oxamate), Me₅dien = N,N,N',N'',N''-pentamethyldiethylenetriamine, and dipn = dipropylenetriamine] have been synthesized through the "complex-as-ligand/complex-as-metal" strategy. Single-crystal X-ray diffraction analyses of 1, 3, and 5 show cationic M(II)₂M'(I…

Inorganic ChemistryMagnetizationNickelMagnetic anisotropyCrystallographySpin statesCondensed matter physicschemistrychemistry.chemical_elementMoleculeSinglet stateGround stateMagnetic susceptibilityDalton transactions (Cambridge, England : 2003)
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Experimental and Computational Study of Unique Tetranuclear µ 3 ‐Chloride and µ‐Phenoxo/Chloro‐Bridged Defective Dicubane Cobalt(II) Clusters

2016

Two tetranuclear CoII clusters [Co4(L)2(µ3-Cl)2Cl2] have been prepared by using multidentate diaminobisphenolate ligands. The solid-state structures of the complexes were determined by single-crystal X-ray diffraction. The cores of the cluster compounds can be defined as a two-vertex-deficient dicubane geometry (pseudo-dicubane). In the central unit, the cobalt(II) cations are linked through phenoxide oxygen (outer bridges) and chloride anions (inner bridges), previously unprecedented in this type of cobalt cluster. The magnetic properties were studied by both experimental and computational methods. By using a combination of techniques, we were able to determine the nature and strength of t…

DenticityStereochemistryChemistrychemistry.chemical_element02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologycobalt01 natural sciencesChloride0104 chemical sciencesMagnetic exchangeInorganic ChemistryCrystallographyCentral unitIntramolecular forcedensity functional calculationsmedicineCluster (physics)cluster compoundsmagnetic properties0210 nano-technologyta116Cobaltmedicine.drugEuropean Journal of Inorganic Chemistry
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Synthesis, crystal structures and magnetic properties of single and double cyanide-bridged bimetallic Fe2(III)Cu(II) zigzag chains.

2004

The bimetallic complexes [[Fe(III)(phen)(CN)4]2Cu(II)(H2O)2].4H2O (1), [[Fe(III)(phen)(CN)4]2Cu(II)].H2O (2) and [[Fe(III)(bipy)(CN)4]2Cu(II)].2H2O (3) and [[Fe(III)(bipy)(CN)4]2Cu(II)(H2O)2].4H2O (4) (phen = 1,10-phenanthroline and bipy = 2,2'-bipyridine) have been prepared and the structures of 1-3 determined by X-ray diffraction. The structure of 1 is made up of neutral cyanide-bridged Fe(III)-Cu(II) zigzag chains of formula [[Fe(III)(phen)(CN)4]2Cu(II)(H2O)2] and uncoordinated water molecules with the [Fe(phen)(CN)4]- entity acting as a bis-monodentate bridging ligand toward two trans-diaquacopper(II) units through two of its four cyanide groups in cis positions. The structure of 2 can …

Stereochemistrychemistry.chemical_elementBridging ligandCrystal structureCopperlaw.inventionInorganic ChemistryCrystallographychemistrylawMoleculeDensity functional theoryCrystallizationBimetallic stripCritical fieldDalton transactions (Cambridge, England : 2003)
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Borate-driven gatelike scaffolding using mesoporous materials functionalised with saccharides.

2009

We report the development of an MCM-41 mesoporous support that is functionalised with saccharides at the pore outlets and contains the dye [Ru(bipy)(3)](2+) in the pores (solid S1; bipy = 2,2'-bipyridyl). For this hybrid system, the inhibition of mass transport of the dye from the pore voids to the bulk solution in the presence of borate is demonstrated in water at neutral pH. The formation of the corresponding boroester derivative is related to the selective reaction of borate with the appended saccharides. This control is selective and only anion borate, among several anions and cations, can act as a molecular tap and inhibit the delivery of the entrapped guest. Additionally, the S1-borat…

AnionsModels MolecularNanostructureOrganic ChemistryInorganic chemistrychemistry.chemical_elementSpectrometry X-Ray EmissionGeneral ChemistryMesoporous silicaSilicon DioxideCatalysisNanostructuresHydrolysisMolecular dynamicsNanoporechemistryPolysaccharidesPolymer chemistryBoratesHybrid materialMesoporous materialBoronChemistry (Weinheim an der Bergstrasse, Germany)
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Reversible Solvatomagnetic Switching in a Spongelike Manganese(II)-Copper(II) 3D Open Framework with a Pillared Square/Octagonal Layer Architecture

2012

The concept of "molecular magnetic sponges" was introduced for the first time in 1999 by the creative imagination of the late Olivier Kahn. It refers to the exotic spongelike behavior of certain molecule-based materials that undergo a dramatic change of their magnetic properties upon reversible dehydration/rehydration processes. Here we report a unique example of a manganese(II)-copper(II) mixed-metal-organic framework of formula [Na(H(2)O)(4)](4)[Mn(4){Cu(2)(mpba)(2)(H(2)O)(4)}(3)]·56.5H(2)O (1) (mpba=N,N'-1,3-phenylenebis(oxamate)). Compound 1 possesses a 3D Mn(II)(4)Cu(II)(6) pillared layer structure with mixed square and octagonal pores of approximate dimensions 1.2×1.2 nm and 2.1×3.0 n…

X-ray absorption spectroscopyOrganic Chemistrychemistry.chemical_elementGeneral ChemistryManganeseCatalysisAmorphous solidlaw.inventionCrystalCrystallographyFerromagnetismchemistrylawPhase (matter)Organic chemistryMetal-organic frameworkCrystallizationChemistry - A European Journal
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From Paramagnetic to Single‐Molecule Magnet Behaviour in Heterobimetallic Compounds Containing the Tetrakis(thiocyanato‐ κN )cobaltate(II) Anion

2018

Inorganic ChemistryParamagnetismCrystallographyNickel010405 organic chemistryChemistrychemistry.chemical_elementSingle-molecule magnet010402 general chemistry01 natural sciencesCobalt0104 chemical sciencesIonEuropean Journal of Inorganic Chemistry
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Synyhesis, structure, spectroscopy and redox chemistry of square-planar nickel(II) complexes with tetradentate o-phenylenedioxamidates and related li…

2005

[EN] A series of four-coordinate square-planar nickel(II) complexes of o-phenylenebis(N¿-methyloxamidate) (L1) and related o-phenylene(N¿-methyloxamidate)oxamate (L2) and o-phenylenebis(oxamate) (L3) tetradentate ligands have been synthesized and characterized structurally, spectroscopically and electrochemically. The parent nickel(II)¿L1 complex presents an intense MLCT band in the UV region (¿max = 357 nm) and a distinctive 1 s ¿ 4p CT satellite in the Ni K-edge XANES spectrum (E = 8339.2 eV). These features together with the short Ni¿N(amidate) bond lengths (1.85¿1.93 Å) as revealed by the analysis of the Ni K-edge EXAFS spectrum and confirmed by single-crystal X-ray diffraction are typi…

Models MolecularMagnetic Resonance SpectroscopySpectrophotometry Infraredchemistry.chemical_elementPhenylenediaminesCrystallography X-RayLigandsPhotochemistrySensitivity and SpecificityRedoxlaw.inventionInorganic Chemistrychemistry.chemical_compoundNickellawElectrochemistryOrganometallic CompoundsMoleculeAcetonitrileElectron paramagnetic resonanceOxalatesMolecular StructureExtended X-ray absorption fine structureLigandElectron Spin Resonance SpectroscopySpectrometry X-Ray EmissionStereoisomerismBond lengthNickelCrystallographychemistryFISICA APLICADASpectrophotometry UltravioletOxidation-Reduction
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Molecular-Programmed Self-Assembly of Homo- and Heterometallic Tetranuclear Coordination Compounds: Synthesis, Crystal Structures, and Magnetic Prope…

2009

New homo- and heterobimetallic tetranuclear complexes of formula [Cu4(mpba)(Me4en)4(H2O)4](ClO4)4·3H2O (1), [Cu4(mpba)(Me4en)4(H2O)4](PF6)4·2H2O (2), [Cu4(ppba)(Me4en)4(H2O)4](ClO4)4·2H2O (3), [Cu4(mpba)(dipn)4](ClO4)4·3H2O (4), [Cu4(ppba)(dipn)4](ClO4)4·2H2O (5), and [Cu2Ni2(ppba)(dipn)4(H2O)2](PF6)4 (6) [mpba = N,N′-1,3-phenylenebis(oxamate), ppba = N,N′-1,4-phenylenebis(oxamate), Me4en = N,N,N′,N′-tetramethylethylenediamine, and dipn = dipropylenetriamine] have been synthesized and structurally and magnetically characterized. Complexes 1−6 have been prepared following a molecular-programmed self-assembly method, where a heteropolytopic tetranucleating phenylenedioxamato bridging ligand (…

Inorganic Chemistrychemistry.chemical_classificationCrystallographyChemistryStereochemistryMetal ions in aqueous solutionCationic polymerizationBridging ligandCrystal structureSelf-assemblyPhysical and Theoretical ChemistryCoordination complexInorganic Chemistry
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Trans-dicyanobis(acetylacetonato)ruthenate(III) as a precursor to build novel cyanide-bridged RuIII–MII bimetallic compounds [M=Co and Ni]

2006

Abstract The use of the mononuclear complex trans-[Ru(acac)2(CN)2]− as a ligand towards the preformed species [Ni2L(H2O)2Cl2], [Co(dmphen)](NO3)2, [Ni(dmphen)](NO3)2 and [Co(H2O)6](NO3)2 afforded the novel cyanide-bridged bimetallic compounds of formula [{Ru(acac)2(CN)2}{Ni2(L)(H2O)2}]{Ru(acac)2(CN)2}·2H2O (1), [{Ru(acac)2(CN)2}{Co(dmphen)(NO3)}]·H2O (2) and [{Ru(acac)2(CN)2}{Ni(dmphen)(NO3)}]·H2O (3) and [{Ru(acac)2(CN)2}2Co] (4) [Hacac = acetylacetone, dmphen = 2,9-dimethylphenanthroline and H2L = 11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-2,7,9,11,13(26),14,19,21(25),22,24-decaene-25,26-diol]. Their syntheses, X-ray crystal structures and magnetic properties are repor…

ChemistryInorganic chemistrychemistry.chemical_elementCrystal structureRutheniumInorganic ChemistryCrystallographyNickelOctahedronMaterials ChemistryAntiferromagnetismPhysical and Theoretical ChemistryIsostructuralCobaltBimetallic stripCoordination Chemistry Reviews
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The influence of pseudohalide ligands on the SIM behaviour of four-coordinate benzylimidazole-containing cobalt(ii) complexes.

2018

Three, mononuclear complexes of the formula [Co(bmim)2(SCN)2] (1), [Co(bmim)2(NCO)2] (2) and [Co(bmim)2(N3)2] (3) [bmim = 1-benzyl-2-methylimidazole] were prepared and structurally analyzed by single-crystal X-ray crystallography. The cobalt(ii) ions in 1-3 are tetrahedrally coordinated with two bmim molecules and two pseudohalide anions. The angular distortion parameter δ was calculated and the SHAPE program (based on the CShM concept) was used for 1-3 to estimate the angular distortion from an ideal tetrahedron. The molecules of 1-3 are effectively separated, and the values of the shortest distance of cobalt-cobalt are 8.442(6) and 6.774(8) A for 1, 10.349(8) and 10.716(8) A for 2 and 6.7…

Materials science010405 organic chemistrychemistry.chemical_elementActivation energyAtmospheric temperature range010402 general chemistry01 natural sciencesMagnetic susceptibilitySpectral lineArrhenius plot0104 chemical scienceslaw.inventionInorganic ChemistryCrystallographychemistrylawMoleculeElectron paramagnetic resonanceCobaltDalton transactions (Cambridge, England : 2003)
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Synthesis, Structure, and Magnetic Properties of Regular Alternating μ-bpm/di-μ-X Copper(II) Chains (bpm = 2,2′-bipyrimidine; X = OH, F)

2012

The preparation and X-ray crystal structure of four 2,2'-bipyrimidine (bpm)-containing copper(II) complexes of formula {[Cu(2)(μ-bpm)(H(2)O)(4)(μ-OH)(2)][Mn(H(2)O)(6)](SO(4))(2)}(n) (1), {[Cu(2)(μ-bpm)(H(2)O)(4)(μ-OH)(2)]SiF(6)}(n) (2), {Cu(2)(μ-bpm)(H(2)O)(2)(μ-F)(2)F(2)}(n) (3), and [Cu(bpm)(H(2)O)(2)F(NO(3))][Cu(bpm)(H(2)O)(3)F]NO(3)·2H(2)O (4) are reported. The structures of 1-3 consist of chains of copper(II) ions with regular alternation of bis-bidentate bpm and di-μ-hydroxo (1 and 2) or di-μ-fluoro (3) groups, the electroneutrality being achieved by either hexaaqua manganese(II) cations plus uncoordinated sulfate anions (1), uncoordinated hexafluorosilicate anions (2), or terminally …

Inorganic chemistrychemistry.chemical_elementManganeseCrystal structureCopperIonInorganic ChemistryCopper atomchemistry.chemical_compoundCrystallographychemistryOctahedronMoleculePhysical and Theoretical ChemistryFluorideInorganic Chemistry
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Synthesis, crystal structures and magnetic properties of M(II)Cu(II) chains (M = Mn and Co) with sterically hindered alkyl-substituted phenyloxamate …

2011

A series of neutral oxamato-bridged heterobimetallic chains of general formula [MCu(L(x)2 (S)2] · p S · q H2O [p = 0-1, q = 0-2.5; L1 = N-2,6-dimethylphenyloxamate, S = DMF with M = Mn (1a) and Co (1b); L2 = N-2,6-diethylphenyloxamate, S = DMF with M = Mn (2a) and Co (2b) or S = DMSO with M = Mn (2c) and Co (2 d); L3 = N-2,6-diisopropylphenyloxamate, S = DMF with M = Mn (3a) and Co (3b) or S = DMSO with M = Mn (3c) and Co (3d)] were prepared by treating the corresponding anionic oxamatocopper(II) complexes [Cu(L(x))(2)]2- (x = 1-3) with M(2+) cations (M = Mn and Co) in DMF or DMSO as the solvent. The single-crystal X-ray structures of 2a and 3a reveal the occurrence of well-isolated, zigzag…

chemistry.chemical_classificationSteric effectsArrhenius equationStereochemistryOrganic Chemistrychemistry.chemical_elementGeneral ChemistryActivation energyManganeseCrystal structureCatalysisCrystallographysymbols.namesakechemistryOctahedronFerrimagnetismsymbolsAlkylChemistry (Weinheim an der Bergstrasse, Germany)
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Ferromagnetic coupling and magnetic anisotropy in oxalato-bridged trinuclear chromium(iii)-cobalt(ii) complexes with aromatic diimine ligands

2010

Two novel heterotrinuclear chromium(III)-cobalt(II) complexes of formula {[Cr(III)(bpy)(ox)(2)](2)Co(II)(Me(2)bpy)}.2H(2)O (1) and {[Cr(III)(phen)(ox)(2)](2)Co(II)(Me(2)bpy)}.1.5H(2)O (2) [ox = oxalato, bpy = 2,2'-bipyridine, Me(2)bpy = 6,6'-dimethyl-2,2'-bipyridine, and phen = 1,10-phenanthroline] have been synthesized using the "complex-as-ligand/complex-as-metal" strategy. The X-ray crystal structure of 2 consists of neutral oxalato-bridged Cr(III)(2)Co(II) bent entities formed by the coordination of two anionic [Cr(III)(phen)(ox)(2)](-) complexes through one of their oxalato groups toward a cationic cis-[Co(II)(Me(2)bpy)](2+) complex. The three tris(chelated), six-coordinated metal atom…

ChromiumModels MolecularOxalatesMolecular StructureChemistryStereochemistrySupramolecular chemistryStereoisomerismCobaltCrystal structureCrystallography X-RayLigandsMagnetic susceptibilityInorganic ChemistryMagneticsCrystallographyMagnetic anisotropyIntramolecular forceOrganometallic CompoundsAnisotropyAntiferromagnetismMolecular orbitalIminesDiimineDalton Trans.
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Experimental and Computational Study of Unique Tetranuclear µ3-Chloride and µ-Phenoxo/Chloro-Bridged Defective Dicubane Cobalt(II) Clusters

2016

Two tetranuclear CoII clusters [Co4(L)2(µ3-Cl)2Cl2] have been prepared by using multidentate diaminobisphenolate ligands. The solid-state structures of the complexes were determined by single-crystal X-ray diffraction. The cores of the cluster compounds can be defined as a two-vertex-deficient dicubane geometry (pseudo-dicubane). In the central unit, the cobalt(II) cations are linked through phenoxide oxygen (outer bridges) and chloride anions (inner bridges), previously unprecedented in this type of cobalt cluster. The magnetic properties were studied by both experimental and computational methods. By using a combination of techniques, we were able to determine the nature and strength of t…

magneettiset ominaisuudetdensity functional calculationscluster compoundskoboltti
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Pentachloro(pyrazine)rhenate(iv) complex as precursor of heterobimetallic pyrazine-containing ReIV2MII (M = Ni, Cu) species: synthesis, crystal struc…

2008

Three novel Re(IV) mononuclear complexes of formulae NBu4[ReC15(pyz)] (1), NH2Me2[ReCl5(pyz)] (2) and NH4[ReCl5(pyz)].0.75H2O (3), (pyz being pyrazine; NBu4+ = tetra-n-butylammonium cation, NH2Me2+ = dimethylammonium cation and NH4+ = ammonium cation), were synthesized by ligand substitution reaction from [ReCl6]2- anion and pyrazine in N,N-dimethylformamide (DMF). In addition, two new heterobimetallic compounds, the salt namely [ReCl5(pyz)]2[Ni(cyclam)](4) (cyclam = 1,4,8,11-tetraazacyclotetradecane) and the heterotrinuclear [{ReCl5(mu-pyz)}2Cu(DMF)4] (5) complex, were prepared by using as precursor 1 and 3, respectively. Compounds 1-5 were characterized by single-crystal X-ray diffraction…

chemistry.chemical_classificationSubstitution reactionPyrazineLigandMetal ions in aqueous solutionInorganic chemistrySalt (chemistry)Crystal structureInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryCyclamAntiferromagnetismDalton Transactions
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Topological control of the spin coupling in dinuclear copper(II) complexes with meta- and para-phenylenediamine bridging ligands

2010

Abstract A novel series of copper(II) complexes of formula [Cu(tren)(mpda)](ClO4)2 · 1/2H2O (1), [Cu2(tren)2(mpda)](ClO4)4 · 2H2O (2), and [Cu2(tren)2(ppda)](ClO4)4 · 2H2O (3) containing the tetradentate tris(2-aminoethyl)amine (tren) terminal ligand and the potentially bridging 1,n-phenylenediamine [n = 3 (mpda) and 4 (ppda)] ligand have been prepared and spectroscopically characterized. X-ray diffraction on single crystals of 1 and 3 show the presence of mono- (1) and dinuclear (3) copper(II) units where the mpda (1) and ppda (3) ligands adopt terminal monodentate (1) and bridging bis(monodentate) (3) coordination modes toward [Cu(tren)]2+ cations with an overall non-planar, orthogonal di…

DenticitySpin polarizationSpin statesChemistryStereochemistryLigandchemistry.chemical_elementCopperMagnetic susceptibilityInorganic ChemistryTrigonal bipyramidal molecular geometryCrystallographyMaterials ChemistrySinglet statePhysical and Theoretical ChemistryInorganica Chimica Acta
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Self-assembly, metal binding ability, and magnetic properties of dinickel(II) and dicobalt(II) triple mesocates

2012

Two metallacyclic complexes of general formula Na-8[(M2L3)-L-II]center dot xH(2)O [M = Ni (4) and Co (5) with x = 15 (4) and 17 (5)] have been self-assembled in aqueous solution from N,N'-1,3-phenylenebis(oxamic acid) (H4L) and M2+ ions in a ligand/metal molar ratio of 3 : 2 in the presence of NaOH acting as base. X-Ray structural analyses of 4 and 5 show triple-stranded, dinuclear anions of the meso-helicate-type (so-called mesocates) with C-3h molecular symmetry. The two octahedral metal-tris(oxamate) moieties of opposite chiralities (Delta, Lambda form) are connected by three m-phenylene spacers at intermetallic distances of 6.822(2) (4) and 6.868(2) angstrom (5) to give a metallacryptan…

Spin polarizationChemistryInorganic chemistryGeneral ChemistryCrystal structureCondensed Matter PhysicsMagnetic susceptibilityCrystallographyPhenyleneMolecular symmetryAntiferromagnetismMoleculeGeneral Materials ScienceMolecular orbital
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Very Long-Distance Magnetic Coupling in a Dicopper(II) Metallacyclophane with Extended π-Conjugated Diphenylethyne Bridges

2011

Self-assembly of the rigid rodlike ligand N,N'-4,4'-diphenylethynebis(oxamate) (dpeba) and Cu(2+) ions affords a novel dinuclear copper(II) metallacyclophane (nBu(4)N)(4)[Cu(2)(dpeba)(2)]·4MeOH·2Et(2)O (1) featuring a very long intermetallic distance (r = 15.0 Å). Magnetic susceptibility measurements for 1 reveal a moderately weak but nonnegligible intramolecular antiferromagnetic coupling between the two metal centers across the double para-substituted diphenylethynediamidate bridge (J = -3.9 cm(-1); H = -JS(1)S(2), where S(1) = S(2) = S(Cu) = (1)/(2)). Density functional electronic structure calculations on 1 support the occurrence of a spin polarization mechanism.

Spin polarizationChemistryLigandIntermetallicchemistry.chemical_elementElectronic structurePhotochemistryInductive couplingCopperMagnetic susceptibilityInorganic ChemistryCrystallographyIntramolecular forcePhysical and Theoretical ChemistryInorganic Chemistry
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Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties

2009

Three new gadolinium(III) complexes with carboxylate ligands of formula [Gd2(ac)6(H2O)4]·2H2O (1), [Gd2(ac)2(fum)2(H2O)4]n (2) and [Gd2(ox)(fum)2(H2O)4]n·4nH2O (3) (ac = acetate, fum = fumarate and ox = oxalate) have been prepared and their structures determined by X-ray diffraction on single crystals. The structure of 1 is made up of discrete centrosymmetric di-µ-oxo(carboxylate acetate)digadolinium(III) units with an intramolecular Gd⋯Gd separation of 4.1589(3) A. Each gadolinium atom in 1 is nine-coordinated with two water molecules and seven carboxylate-oxygen atoms from four acetate ligands building a monocapped square antiprism environment. Compound 2 exhibits a sheet-like structure, …

StereochemistryGadoliniumchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsMagnetic susceptibilityOxalateSquare antiprismchemistry.chemical_compoundCrystallographychemistryIntramolecular forceAntiferromagnetismMoleculeGeneral Materials ScienceCarboxylateCrystEngComm
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Highly Anisotropic Rhenium(IV) Complexes: New Examples of Mononuclear Single-Molecule Magnets

2013

The rhenium(IV) complex (NBu4)2[ReBr4(ox)] (1) (ox = oxalate and NBu4(+) = tetra-n-butylammonium cation) has been prepared and its crystal structure determined by X-ray diffraction. The structure is made up of discrete [ReBr4(ox)](2-) anions and bulky NBu4(+) cations. Each [ReBr4(ox)](2-) anion is surrounded by six NBu4(+) cations, which preclude any significant intermolecular contact between the anionic entities, the shortest rhenium···rhenium distance being 9.373(1) Å. Variable temperature dc and ac magnetic susceptibility measurements and field-dependent magnetization experiments on polycrystalline samples of 1 reveal the occurrence of highly anisotropic magnetically isolated Re(IV) cent…

010405 organic chemistryRelaxation (NMR)Inorganic chemistrychemistry.chemical_elementGeneral ChemistryCrystal structureRhenium010402 general chemistry01 natural sciencesBiochemistryMagnetic susceptibilityCatalysisOxalate3. Good health0104 chemical sciencesMagnetizationchemistry.chemical_compoundCrystallographyColloid and Surface ChemistrychemistryMolecule[PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el]IsostructuralComputingMilieux_MISCELLANEOUSJournal of the American Chemical Society
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A methylenediphosphonate bridged copper(II) tetramer: Synthesis, structural, thermal, and magnetic characterization of [Cu4(H2O)2(phen)4(μ-P2O6CH2)2]…

2019

Abstract A novel tetracopper(II) complex namely, [Cu4(H2O)2(phen)4(μ-P2O6CH2)2]·21H2O (1) was synthesized by using copper(II) chloride, 1,10-phenanthroline (phen), and methylene diphosphonic acid (MDP). The structure of 1 was characterized by single crystal X-ray diffraction and spectroscopy. Compound 1 crystallizes in the triclinic system, P 1 ¯ space group and its crystal structure consists of neutral centrosymmetric tetranuclear copper(II)-methylene diphosphonate units where each peripheral {Cu(phen)(P2O6CH2)}2− fragment adopts the bidentate(Oeq-P-Oeq)/monodentate (Oax) bridging mode towards each of the two inner {Cu(phen)}2+ entities resulting in a “clamshell”-like orientation. The two …

Denticity010405 organic chemistrychemistry.chemical_elementCrystal structureTriclinic crystal system010402 general chemistry01 natural sciencesCopperSquare pyramidal molecular geometry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryIntramolecular forceMaterials ChemistryMoleculePhysical and Theoretical ChemistryMethylenePolyhedron
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Synthesis, structural analysis, and magnetic properties of ethylmalonate-manganese(II) complexes

2011

12 páginas, 10 figuras, 6 tablas.-- et al.

EthyleneDenticityLigandStereochemistrychemistry.chemical_elementManganeseInorganic ChemistryMetalchemistry.chemical_compoundCrystallographychemistryvisual_artvisual_art.visual_art_mediumAntiferromagnetismPhysical and Theoretical ChemistryEnantiomerSingle crystal
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Magnetic properties of six-coordinated high-spin cobalt(II) complexes: Theoretical background and its application

2008

Abstract In this contribution we study and analyse the influence of the different parameters involved in the magnetic susceptibility of six-coordinated high-spin Co(II) complexes. We propose an empirical expression to fit the magnetic susceptibility of polycrystalline samples of mononuclear Co(II) complexes with an axial distortion, the variable parameters being Δ (axial distortion), α (orbital reduction factor) and λ (spin–orbit coupling). This expression avoids solving the 12 × 12 matrix associated to the distortion of the 4 T 1g term. In order to take into account the magnetic coupling ( J ) in the polynuclear Co(II) complexes, a perturbational approach is proposed to describe their magn…

Condensed matter physicsChemistrySpin–orbit interactionAtmospheric temperature rangeInductive couplingMagnetic susceptibilityIonInorganic ChemistryMatrix (mathematics)Magnetic anisotropyMaterials ChemistryPhysical chemistryPhysical and Theoretical ChemistrySpin (physics)Inorganica Chimica Acta
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Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders

2012

Two distinct one-dimensional (1) and two-dimensional (2) mixed-metal-organic polymers have been synthesized by using the "complex-as-ligand" strategy. The structure of 1 consists of isolated ladderlike Mn(II)(2)Cu(II)(2) chains separated from each other by neutral Mn(II)(2) dimers, whereas 2 possesses an overall corrugated layer structure built from additional coordinative interactions between adjacent Mn(II)(2)Cu(II)(2) ladders. Interestingly, 1 and 2 show overall ferri- and antiferromagnetic behavior, respectively, as a result of their distinct crystalline aggregation in the solid state.

Models Molecularchemistry.chemical_classificationManganeseMolecular StructureTemperatureSolid-statePolymerCrystallography X-RayInorganic ChemistryCrystallographychemistryOrganometallic CompoundsAntiferromagnetismPhysical and Theoretical ChemistryLayer (electronics)CopperInorganic Chemistry
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Delivery modulation in silica mesoporous supports via alkyl chain pore outlet decoration

2012

This article focuses on the study of the release rate in a family of modified silica mesoporous supports. A collection of solids containing ethyl, butyl, hexyl, octyl, decyl, octadecyl, docosyl, and triacontyl groups anchored on the pore outlets of mesoporous MCM-41 has been prepared and characterized. Controlled release from pore voids has been studied through the delivery of the dye complex tris(2,2¿-bipyridyl)ruthenium(II). Delivery rates were found to be dependent on the alkyl chain length anchored on the pore outlets of the mesoporous scaffolding. Moreover, release rates follow a Higuchi diffusion model, and Higuchi constants for the different hybrid solids have been calculated. A decr…

Models MolecularTrisINGENIERIA DE LA CONSTRUCCIONSurface Propertieschemistry.chemical_elementMolecular Dynamics SimulationMolecular dynamicschemistry.chemical_compoundQUIMICA ORGANICAOrganometallic CompoundsElectrochemistryOrganic chemistryGeneral Materials ScienceParticle SizePorositySpectroscopyAlkylchemistry.chemical_classificationQUIMICA INORGANICASurfaces and InterfacesSilicon DioxideCondensed Matter PhysicsControlled releaseRutheniumChemical engineeringchemistryParticle sizeMesoporous materialPorosity
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Influence of Xantphos Derivative Ligands on the Coordination in Their Copper(I) and Silver(I) Complexes

2019

Inorganic Chemistrychemistry.chemical_compoundchemistryXantphoschemistry.chemical_elementLuminescenceCopperCombinatorial chemistryDerivative (chemistry)European Journal of Inorganic Chemistry
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Synthesis, crystal structures and magnetic properties of cyanide- and phenolate-bridged [MIIINiII]2tetranuclear complexes (M = Fe and Cr)

2005

The binuclear complex NiII2L(H2O)2(ClO4)2 (1) and the neutral tetranuclear bimetallic compounds [{MIII(phen)(CN)4}2{NiII2L(H2O)2}]·2CH3CN with M = Fe (2) and Cr (3) [H2L = 11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.19,13]hexacosa-2,7,9,11,13(26),14,19,21(25),22,24-decaene-25,26-diol] have been synthesized and the structures of 2 and 3 determined by single crystal X-ray diffraction. 2 and 3 are isostructural compounds whose structure is made up of centrosymmetric binuclear cations [Ni2(L)(H2O)2]2+ and two peripheral [M(phen)(CN)4]− anions [M = Fe (2) and Cr (3)] acting as monodentate ligands towards the nickel atoms through one of their four cyanide nitrogen atoms. The environment of t…

Inorganic ChemistryCrystallographyNickelDenticityChemistryIntramolecular forceInorganic chemistryAntiferromagnetismMoleculechemistry.chemical_elementDensity functional theoryCrystal structureIsostructuralDalton Trans.
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Co-existence of ferro- and antiferromagnetic interactions in a hexanuclear mixed-valence CoIII2MnII2MnIV2 cluster sustained by a multidentate Schiff …

2019

The successful utilization of the “direct synthesis” approach yielded the unprecedented hexanuclear complex of formula [Co2MnII2MnIV2(L1)4Cl2(μ3-O)2(dmf)4]·2dmf (1) (H3L is the Schiff base derived from the condensation of salicylaldehyde and 3-aminopropane-1,2-diol). Single crystal X-ray analysis revealed that 1 crystallizes in the monoclinic system P21/c and it contains a rare mixed-valence {CoIII2MnII2MnIV2(μ2-O)8(μ3-O)2} core where all metal ions are linked through the phenolato and alkoxo groups of the L3− ligand. Besides the charge balance resulting from the X-ray structure, the oxidation state of the metal ions has been confirmed by XPS spectroscopy. Cryomagnetic studies indicate the …

DenticitySchiff baseValence (chemistry)Materials scienceSpin states010405 organic chemistryMetal ions in aqueous solution010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryOxidation state[CHIM]Chemical SciencesAntiferromagnetism[CHIM.COOR]Chemical Sciences/Coordination chemistryComputingMilieux_MISCELLANEOUSMonoclinic crystal systemDalton Transactions
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Ferromagnetic exchange in a twisted, oxime-bridged [mniii2] dimer

2012

Journal article The dimeric complex [MnIII2(Naphth-sao)2(Naphth-saoH)2(MeOH)2][middle dot]4MeOH (1[middle dot]4MeOH), acts as a simple model complex with which to examine the magneto-structural relationship in polymetallic, oxime-bridged MnIII complexes. Dc magnetic susceptibility studies reveal that ferromagnetic exchange is mediated through the heavily twisted Mn-O-N-Mn moiety (J = +1.24 cm-1) with magnetisation measurements at low temperatures and high fields suggesting significant anisotropy. Simulations of high field, high frequency EPR data reveal a single ion anisotropy, D(MnIII) = -3.94 cm-1. Theoretical studies on simplified model complexes of 1 reveal that calculated values of the…

complexes/dk/atira/pure/subjectarea/asjc/1600/1604familyni(ii)ligandsDimerMagnetic susceptibilityIonlaw.inventionInorganic Chemistryatoms lichemistry.chemical_compoundCrystallographyMagnetizationaxis extra linesSingle-Molecule Magnetselectron-paramagnetic-resonancechemistryFerromagnetismlawkrgaussian-basis setsMoietyAnisotropyElectron paramagnetic resonance
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Slow magnetic relaxation in carbonato-bridged dinuclear lanthanide(iii) complexes with 2,3-quinoxalinediolate ligands

2012

The coordination chemistry of the 2,3-quinoxalinediolate ligand with different lanthanide(iii) ions in basic media in air affords a new family of carbonato-bridged M 2 III compounds (M = Pr, Gd and Dy), the Dy 2 III analogue exhibiting slow magnetic relaxation behaviour typical of single-molecule magnets. This journal is © 2012 The Royal Society of Chemistry.

Lanthanidechemistry.chemical_classificationLigandChemistryInorganic chemistryMetals and AlloysGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCoordination complexCrystallographyMagnetMaterials ChemistryCeramics and CompositesMagnetic relaxationChemical Communications
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Ein neuartiger Eisen(III)-Komplex mit einem cyclischen Amidliganden und einer Struktur aus Schichten alternierender Chiralität

1998

Ein organisch-metallorganisches Analogon von Tonmineralien wurde unter Cyclisierung von N,N′-Bis(ethoxalyl)phenylendiamin zu einem zweizahnigen Oxamid-Liganden (L) in basischem Medium und in Gegenwart von Eisen(III)-Ionen erhalten. Das Zusammenwirken von intramolekularen (kovalenten) Wechselwirkungen zwischen Metall und Ligand und intermolekularen (nichtkovalenten) ionischen Wechselwirkungen fuhrt dabei zu einer neuartigen Schichtverbindung mit einer faszinierenden Kristallstruktur (siehe rechts).

General MedicineAngewandte Chemie
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Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints

1998

Abstract The spin density distribution in transition metal complexes is discussed in qualitative terms, taking into account the coexistence of spin delocalization and spin polarization mechanisms, with the help of numerical results for several complexes obtained from density functional calculations. The covalent character of the metal-ligand bonds as well as the σ- or π-characteristics of the partially filled d orbitals must be taken into account to qualitatively predict the sign of the spin density at a particular atom within a ligand. The same patterns can be applied to binuclear complexes and can be helpful in determining the ferro- or antiferromagnetic character of the exchange coupling…

Inorganic ChemistryLigand field theoryDelocalized electronCondensed matter physicsAtomic orbitalSpin statesSpin polarizationTransition metalChemistryCondensed Matter::Strongly Correlated ElectronsMolecular orbitalSpin-½Comments on Inorganic Chemistry
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Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting Chiral bioMOF

2016

Proton conduction in solids attracts great interest, not only because of possible applications in fuel cell technologies, but also because of the main role of this process in many biological mechanisms. Metal–organic frameworks (MOFs) can exhibit exceptional proton-conduction performances, because of the large number of hydrogen-bonded water molecules embedded in their pores. However, further work remains to be done to elucidate the real conducting mechanism. Among the different MOF subfamilies, bioMOFs, which have been constructed using biomolecule derivatives as building blocks and often affording water-stable materials, emerge as valuable systems to study the transport mechanisms involve…

chemistry.chemical_classificationMaterials scienceProtonGeneral Chemical EngineeringBiomoleculeNanotechnology02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical scienceschemistryMaterials ChemistryMoleculeFuel cellsGrotthuss mechanism0210 nano-technologyPorosityChemistry of Materials
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Polymorphic Derivatives of NiII and CoII Mesocates with 3D Networks and “Brick and Mortar” Structures: Preparation, Structural Characterization, and …

2020

In this work we describe the preparation, spectroscopic, thermal and structural characterization, and cryomagnetic investigation of four new polymorphic derivatives of the [M2(H2mpba)3]2– mesocate ...

CrystallographyMaterials science010405 organic chemistryMagnetMoleculeGeneral Materials ScienceGeneral ChemistryBrick and mortar010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesCharacterization (materials science)Crystal Growth & Design
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Novel metal–organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities

2012

Two new metal–organic frameworks based on 5-bromonicotinic acid complexes [Cd(5-BrNic)2]n (1) and [Co(5-BrNic)2(H2O)]n (2) have been synthesized by hydrothermal reactions of this ligand with cadmium and cobalt metallic(II) salts in the presence of water. Compound 1 displays intense photoluminescence properties in the solid state at room temperature, while 2 exhibits an antiferromagnetic interaction between Co(II) ions with a J value of −4.1 cm−1. Experimental studies, backed up by Monte Carlo simulations about adsorption, pore size distribution and accessible surface area reveal the capability of 2 for H2 purification applications.

PhotoluminescenceMaterials science010405 organic chemistryLigandInorganic chemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciencesHydrothermal circulation0104 chemical sciencesAccessible surface areaMetalAdsorptionchemistryvisual_artvisual_art.visual_art_mediumGeneral Materials ScienceMetal-organic frameworkCobaltCrystEngComm
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Topological control in the hydrogen bond-directed self-assembly of ortho-, meta-, and para-phenylene-substituted dioxamic acid diethyl esters

2010

[EN] The structures of the series of N,N¿-1,n-phenylenebis(oxamic acid ethyl ester) molecules with n = 2 (H2Et2opba, 1), 3 (H2Et2mpba, 2), and 4 (H2Et2ppba, 3) have been determined by single-crystal X-ray diffraction (XRD) methods. Density functional (DF) calculations have been performed on the simplest model system N-phenyloxamic acid methyl ester (HMepma). Compounds 1¿3 have either folded (H2Et2opba), bent (H2Et2mpba), or linear (H2Et2ppba) almost planar (periplanar) molecular configurations with the two oxalamide moieties being slightly tilted up and down, respectively, with respect to the benzene ring. The energy calculations as a function of the torsion angle (¿) around the N(amide)¿C(…

Hydrogen bondStereochemistryDimerIntermolecular forceGeneral ChemistryCondensed Matter PhysicsCrystallographychemistry.chemical_compoundchemistryPhenyleneCovalent bondFISICA APLICADAAmideIntramolecular forceMoleculeGeneral Materials ScienceCrystEngComm
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New cyanide-bridged Mn(III)-M(III) heterometallic dinuclear complexes constructed from [M(III)(AA)(CN)4]- building blocks (M = Cr and Fe): synthesis,…

2011

Three Mn(III)-M(III) (M = Cr and Fe) dinuclear complexes have been obtained by assembling [Mn(III)(SB)(H(2)O)](+) and [M(III)(AA)(CN)(4)](-) ions, where SB is the dianion of the Schiff-base resulting from the condensation of 3-methoxysalicylaldehyde with ethylenediamine (3-MeOsalen(2-)) or 1,2-cyclohexanediamine (3-MeOsalcyen(2-)): [Mn(3-MeOsalen)(H(2)O)(µ-NC)Cr(bipy)(CN)(3)]·2H(2)O (1), [Mn(3-MeOsalen)(H(2)O)(µ-NC)Cr(ampy)(CN)(3)][Mn(3-MeOsalen)(H(2)O)(2)]ClO(4)·2H(2)O (2) and [Mn(3-MeOsalcyen)(H(2)O)(µ-NC)Fe(bpym)(CN)(3)]·3H(2)O (3) (bipy = 2,2'-bipyridine, ampy = 2-aminomethylpyridine and bpym = 2,2'-bipyrimidine). The [M(AA)(CN)(4)](-) unit in 1-3 acts as a monodentate ligand towards th…

DenticityChemistryHydrogen bondStereochemistryCyanidechemistry.chemical_elementEthylenediamineCrystal structureManganeseInorganic Chemistrychemistry.chemical_compoundCrystallographyOctahedronMoleculeDalton transactions (Cambridge, England : 2003)
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Electronic, vibrational, and structural properties of a spin-crossover catecholato-iron system in the solid state: theoretical study of the electroni…

2005

As a functional model of the catechol dioxygenases, [(TPA)Fe(Cat)]BPh4 (TPA = tris(2-pyridylmethyl)amine and Cat = catecholate dianion) exhibits the purple-blue coloration indicative of some charge transfer within the ground state. In contrast to a number of high-spin bioinspired systems, it was previously shown that, in the solid state, [(TPA)Fe(Cat)]BPh4 undergoes a two-step S = 1/2 = S = 5/2 spin-crossover. Therefore, the electronic and vibrational characteristics of this compound were investigated in the solid state by UV/Vis absorption and resonance Raman spectroscopies over the temperature range of the transition. This allowed the charge-transfer transitions of the low-spin (LS) form …

ChemistryOrganic ChemistryResonanceGeneral ChemistryCrystal structureAtmospheric temperature rangeCatalysissymbols.namesakeCrystallographyAtomic electron transitionComputational chemistrySpin crossoverMössbauer spectroscopysymbolsRaman spectroscopyGround stateChemistry (Weinheim an der Bergstrasse, Germany)
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Photoswitching of the antiferromagnetic coupling in an oxamato-based dicopper(ii) anthracenophane

2011

Thermally reversible photomagnetic (ON/OFF) switching behavior has been observed in a dinuclear oxamatocopper(ii) anthracenophane upon UV light irradiation and heating; the two CuII ions (SCu = 1/2) that are antiferromagnetically coupled in the dicopper(ii) metallacyclic precursor (ON state) become uncoupled in the corresponding [4+4] photocycloaddition product (OFF state), as substantiated from both experimental and theoretical studies. © 2011 The Royal Society of Chemistry.

010405 organic chemistryChemistryMetals and AlloysLight irradiation[CHIM.MATE]Chemical Sciences/Material chemistryGeneral Chemistry010402 general chemistryPhotochemistry01 natural sciencesCatalysisAntiferromagnetic coupling0104 chemical sciences3. Good healthSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyMaterials ChemistryCeramics and CompositesChemical Communications
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Photoluminescent Cu(i) vs. Ag(i) complexes: slowing down emission in Cu(i) complexes by pentacoordinate low-lying excited states.

2019

This work describes the synthesis, and structural, spectroscopic, and theoretical studies of a mononuclear silver(i) complex with the formula [Ag(Xantphos)(4,4'-(MeO)2-2,2'-bipy)]BF4·DCM (1·BF4) [Xantphos: 4,5-bis(diphenylphosphino)-9,9'-dimethylxanthene]. We provide meaningful insights into the enhancement of the photoluminescence features of this silver(i) complex compared to its copper(i) analogue.

PhotoluminescenceMaterials science010405 organic chemistryXantphoschemistry.chemical_element010402 general chemistry01 natural sciencesCopper0104 chemical sciencesInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryExcited stateDalton transactions (Cambridge, England : 2003)
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Syntheses, Structures, and Magnetic Properties of Copper( II ) Complexes with 1,3‐[Bis(2‐pyridylmethyl)amino]benzene (1,3‐tpbd) as Ligand

2004

The dinuclear copper(II) complexes {[Cu2(1,3-tpbd)(H2O)(OAc)2](ClO4)2}0.23{[Cu2(1,3-tpbd)(H2O)2(OAc)](ClO4)3}0.77·0.77H2O (1), [Cu2(1,3-tpbd)(H2O)2(OAc)2](ClO4)2·2H2O (2), and the tetranuclear copper(II) complex [Cu4(1,3-tpbd)2(H2O)2(SO4)4]·8H2O (3) {1,3-tpbd = 1,3-bis[bis(2-pyridylmethyl)amino]benzene} were synthesised and structurally characterised by X-ray diffraction. Variable-temperature (2.0−290 K) magnetic susceptibility measurements on these complexes as well as on the dinuclear copper(II) complex [Cu2(1,3-tpbd)(H2O)2(ClO4)3]ClO4 (4) (whose structure was published earlier) were performed. In contrast to 2 and 3, significant ferromagnetic coupling with J = +9.3 cm−1 was observed for …

Settore CHIM/03 - Chimica Generale e InorganicaStereochemistrychemistry.chemical_elementCopperMagnetic susceptibilitylaw.inventionInorganic ChemistryCrystallographychemistry.chemical_compoundFerromagnetismchemistrylawDensity functional theoryElectron paramagnetic resonanceBenzeneEuropean Journal of Inorganic Chemistry
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Cover Picture: Solid-State Molecular Nanomagnet Inclusion into a Magnetic Metal-Organic Framework: Interplay of the Magnetic Properties (Chem. Eur. J…

2015

ChemistryOrganic ChemistrySolid-stateMetal-organic frameworkNanotechnologyCover (algebra)General ChemistryInclusion (mineral)NanomagnetCatalysisChemistry - A European Journal
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Magneto-structural correlations in dirhenium(iv) complexes possessing magnetic pathways with even or odd numbers of atoms

2017

The employment of pyrazine (pyz), pyrimidine (pym) and s-triazine (triz) ligands in ReIV chemistry leads to the isolation of a family of complexes of general formula (NBu4)2[(ReX5)2(μ-L)] (L = pyz, X = Cl (1) or Br (2); L = pym, X = Br (3); L = triz, X = Br (4)). 1-4 are dinuclear compounds where two pentahalorhenium(iv) fragments are connected by bidentate pyz, pym and triz ligands. Variable-temperature magnetic measurements, in combination with detailed theoretical studies, uncover the underlying magneto-structural correlation whereby the nature of the exchange between the metal ions is dictated by the number of intervening atoms. That is, the spin-polarization mechanism present dictates …

Magnetic measurementsDenticityPyrazinePyrimidine010405 organic chemistryChemistryStereochemistryLigandMetal ions in aqueous solution010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundFerromagnetismAntiferromagnetismDalton Transactions
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Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity propert…

2017

A series of zinc(II), cobalt(II) and manganese(II) coordination networks with phosphoserine ligand (H3PSer) are synthesized and characterized. Whereas in compounds 1 and 2 with the general formula [M(HPser)]n [M = Zn (1) and Co (2)], the metal(II) ion presents a tetrahedral geometry, in [Co(HPSer)(H2O)2]n (3) and [Mn(HPSer)(H2O)]n (4), the metal(II) ions are in a distorted octahedral geometry. The 3D frameworks are formed by inorganic layers built up from MO4 or MO6 polyhedra and phosphate groups. These layers are linked by the carboxylate groups of the phosphoserine ligand. The presence of extended hydrogen bonding stabilizes the 3D network and favours the proton transfer leading to modera…

010405 organic chemistryLigandInorganic chemistrychemistry.chemical_elementTetrahedral molecular geometryZincManganese010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundCrystallographychemistryvisual_artOctahedral molecular geometryvisual_art.visual_art_mediumCarboxylateCobaltDalton Transactions
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Strong Ferromagnetic Coupling in Linear Mixed μ-Acetato, μ-Hydroxo Trinuclear Copper(II) Complexes withN-sulfonamide derivatives − Synthesis, Structu…

2002

Inorganic ChemistryCoupling (electronics)chemistry.chemical_classificationCrystallographyFerromagnetismChemistrylawInorganic chemistrychemistry.chemical_elementElectron paramagnetic resonanceCopperlaw.inventionSulfonamideEuropean Journal of Inorganic Chemistry
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Ligand effects on the dimensionality of oxamato-bridged mixed-metal open-framework magnets

2012

Increasing dimensionality [from 2D (1) to 3D (2)] and T(C) [from 10 (1) to 20 K (2)] in two new oxamato-bridged heterobimetallic Mn(II)(2)Cu(II)(3) open-frameworks result from the steric hindrance provided by the different alkyl substituents of the N-phenyloxamate bridging ligands.

Steric effectschemistry.chemical_classificationBridging (networking)Mixed metalChemistryLigandStereochemistryMetals and AlloysGeneral ChemistryOpen frameworkCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyMagnetMaterials ChemistryCeramics and CompositesAlkylCurse of dimensionalityChemical Communications
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Growth of thin films of single-chain magnets on functionalized silicon surfaces

2018

A one-pot strategy for the direct growth of continuous and regular thin films of a neutral oxamato-bridged heterobimetallic chain, synthesized from Co2+ nitrate and the tetramethylammonium salt of the anionic copper(II) complex (Me4N)2[Cu(2,6-Et2pa)2]·6H2O (1) (2,6-Etpa = N-2,6-diethylphenyloxamate) over Si(111) surfaces functionalized with carboxylic acid terminating groups has been developed. Variation of the growth conditions can provide important differences in the morphology of the obtained films when working in H2O at 20 °C. An anisotropic growth of 1-D fibers is observed under stoichiometric conditions (Co2+/1 = 1:1), while an isotropic growth of 3-D particles occurs for an excess of…

TetramethylammoniumSilicon010405 organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesCopper0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryFerrimagnetismMaterials ChemistryParticleFiberPhysical and Theoretical ChemistryThin filmStoichiometry
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A new enneanuclear nickel(II) cluster with a rectangular face-centered trigonal prism structure and cluster glass behavior.

2011

An enneanuclear nickel(II) complex with a rectangular face-centered trigonal prism structure bridged by μ(2)-pyrazolate, μ(6)-CO(3)(2-) and μ(3)-OH(-) groups was synthesized. It displays cluster glass-like magnetic behavior assigned to the single molecule magnet properties of {Ni(9)} clusters and weak intercluster interaction.

Models MolecularChemistryMetals and AlloysStructure (category theory)chemistry.chemical_elementGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyNickelTrigonal prismCoordination ComplexesNickelFace (geometry)Materials ChemistryCeramics and CompositesCluster (physics)MagnetsPyrazolesSingle-molecule magnetChemical communications (Cambridge, England)
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Accidentally on purpose: construction of a ferromagnetic, oxime-based [MnIII2] dimer

2011

The serendipitous self-assembly of the complex [Mn(III)(2)Zn(II)(2)(Ph-sao)(2)(Ph-saoH)(4)(hmp)(2)] (1),whose magnetic core consists solely of two symmetry equivalent Mn(iii) ions linked by two symmetry equivalent -N-O- moieties, provides a relatively simple model complex with which to study the magneto-structural relationship in oxime-bridged Mn(III) cluster compounds. Dc magnetic susceptibility measurements reveal ferromagnetic (J = +2.2 cm(-1)) exchange resulting in an S = 4 ground state. Magnetisation measurements performed at low temperatures and high fields reveal the presence of significant anisotropy, with ac measurements confirming slow relaxation of the magnetisation and Single-Mo…

MagnetismChemistryRelaxation (NMR)Magnetic susceptibilitylaw.inventionInorganic ChemistryCrystallographyMagnetizationFerromagnetismComputational chemistrylawAnisotropyGround stateElectron paramagnetic resonanceDalton Transactions
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Field-Induced Slow Magnetic Relaxation in a Mononuclear Manganese(III)-Porphyrin Complex

2015

We report on a novel manganese(III)-porphyrin complex with the formula [Mn(III) (TPP)(3,5-Me2 pyNO)2 ]ClO4 ⋅CH3 CN (2; 3,5-Me2 pyNO=3,5-dimethylpyridine N-oxide, H2 TPP=5,10,15,20-tetraphenylporphyrin), in which the Mn(III) ion is six-coordinate with two monodentate 3,5-Me2 pyNO molecules and a tetradentate TPP ligand to build a tetragonally elongated octahedral geometry. The environment in 2 is responsible for the large and negative axial zero-field splitting (D=-3.8 cm(-1) ), low rhombicity (E/|D|=0.04) of the high-spin Mn(III) ion, and, ultimately, for the observation of slow magnetic-relaxation effects (Ea =15.5 cm(-1) at H=1000 G) in this rare example of a manganese-based single-ion ma…

DenticityPorphyrinsMetalloporphyrinsPyridineschemistry.chemical_elementManganese010402 general chemistryCrystallography X-RayLigands01 natural sciencesCatalysisIonlaw.inventionchemistry.chemical_compoundlawOctahedral molecular geometryMoleculeElectron paramagnetic resonanceComputingMilieux_MISCELLANEOUS[PHYS]Physics [physics]Manganese010405 organic chemistryLigandOrganic ChemistryElectron Spin Resonance SpectroscopyTemperatureGeneral ChemistryPorphyrin0104 chemical sciencesCrystallographychemistryMagnets
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Field-induced slow magnetic relaxation in pseudooctahedral cobalt(ii) complexes with positive axial and large rhombic anisotropy

2019

The preparation, X-ray crystal structure, spectroscopic and variable-temperature dc and ac magnetic properties of two six-coordinate cobalt(ii) complexes of formula [Co(bim)4(tcm)2] (1) and [Co(bmim)4(tcm)2] (2) (bim = 1-benzylimidazole, bmim = 1-benzyl-2-methylbenzimidazole and tcm- = tricyanomethanide ion) are reported. 1 and 2 crystallize in the monoclinic P21/n and C2/c space groups with the asymmetric units composed of one tcm- ion and half the [Co(bim)4]2+ and [Co(bmim)4]2+ complex cations, respectively. Their cobalt atoms are in compressed (1)/rhombic (2) CoN6 octahedral environments, the axial positions being occupied by monodentate tricyanomethanide anions. The neutral molecules in…

Materials science010405 organic chemistryIntermolecular forceRelaxation (NMR)chemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciences0104 chemical scienceslaw.inventionInorganic ChemistryCrystallographyMagnetizationMagnetic anisotropychemistrylawElectron paramagnetic resonanceCobaltMonoclinic crystal systemDalton Transactions
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Deciphering the Electroluminescence Behavior of Silver(I)‐Complexes in Light‐Emitting Electrochemical Cells: Limitations and Solutions toward Highly …

2019

BiomaterialsMaterials scienceElectrochemistryNanotechnologyElectroluminescenceCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsElectrochemical cellAdvanced Functional Materials
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Theoretical Insights into the Ferromagnetic Coupling in Oxalato-Bridged Chromium(III)-Cobalt(II) and Chromium(III)-Manganese(II) Dinuclear Complexes …

2012

Two novel heterobimetallic complexes of formula [Cr(bpy)(ox)(2)Co(Me(2)phen)(H(2)O)(2)][Cr(bpy)(ox)(2)]·4H(2)O (1) and [Cr(phen)(ox)(2)Mn(phen)(H(2)O)(2)][Cr(phen)(ox)(2)]·H(2)O (2) (bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline, and Me(2)phen = 2,9-dimethyl-1,10-phenanthroline) have been obtained through the "complex-as-ligand/complex-as-metal" strategy by using Ph(4)P[CrL(ox)(2)]·H(2)O (L = bpy and phen) and [ML'(H(2)O)(4)](NO(3))(2) (M = Co and Mn; L' = phen and Me(2)phen) as precursors. The X-ray crystal structures of 1 and 2 consist of bis(oxalato)chromate(III) mononuclear anions, [Cr(III)L(ox)(2)](-), and oxalato-bridged chromium(III)-cobalt(II) and chromium(III)-manganese(II) din…

Chromate conversion coatingChemistryStereochemistryCationic polymerizationchemistry.chemical_elementManganeseCrystal structureMedicinal chemistryInorganic ChemistryChromiumMoietyPhysical and Theoretical ChemistryCobaltDiimineInorganic Chemistry
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Influence of the pyrazine substituent on the structure and magnetic properties of dicyanamide-bridged cobalt(ii) complexes.

2019

Substituted pyrazines were successfully used to prepare two new coordination polymers of formulas {[Co(dca)2(NH2pyz)2]·H2O}n (1) and [Co3(dca)6(HOpyz)5(H2O)2]n (2) [dca = dicyanamide, NH2pyz = 2-aminopyrazine and HOpyz = 2-hydroxypyrazine] whose structures were determined by single-crystal X-ray crystallography. The structure of 1 consists of a two-dimensional rhombus grid of cobalt(II) ions where the dca ligand adopts the μ1,5 bridging mode with trans-positioned monodentate NH2pyz molecules completing the six-coordination around each metal ion. Compound 2 exhibits a stair-like two-dimensional structure where the intralayer connections are performed by the dca and HOpyz groups exhibiting μ1…

Materials scienceMagnetic momentPyrazine010405 organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundMagnetizationCrystallographychemistrylawElectron paramagnetic resonanceGround stateCobaltDicyanamideDalton transactions (Cambridge, England : 2003)
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A Trinuclear Copper(II) Cryptate and Its μ3-CO3 Cascade Complex: Thermodynamics, Structural and Magnetic Properties

2011

The 2,4,6-triethylbenzene-capped hexaamine macrobicycle with pyridyl spacers (pyr) was able to coordinate three copper(II) ions within its cavity. Potentiometric studies performed at 298.2 K in MeOH/H(2)O (50:50 v/v) and at ionic strength 0.10 mol dm(-3) in KNO(3) revealed that trinuclear species predominate in solution from pH 5.0, the hydroxo complexes being the main species, which start forming at unusual very low pH values. The single-crystal X-ray determination of the trinuclear complex showed that the three copper centres have square-planar geometry, arranged in an almost equilateral triangle, and have carbonate bridging the three metal centres. The presence of carbonate resulted from…

Molecular StructureOrganic ChemistryPotentiometric titrationInorganic chemistryCryptandchemistry.chemical_elementGeneral ChemistryCrystallography X-RayLigandsCopperCatalysisMetalMagneticsCrystallographychemistryIonic strengthCrown Ethersvisual_artIntramolecular forceOrganometallic Compoundsvisual_art.visual_art_mediumThermodynamicsMoleculeGround stateCopperChemistry - A European Journal
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Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, a…

2016

A mononuclear cobalt(II) complex [Co(3,5-dnb)2(py)2(H2O)2] {3,5-Hdnb = 3,5-dinitrobenzoic acid; py = pyridine} was isolated in two polymorphs, in space groups C2/c (1) and P21/c (2). Single-crystal X-ray diffraction analyses reveal that 1 and 2 are not isostructural in spite of having equal formulas and ligand connectivity. In both structures, the Co(II) centers adopt octahedral {CoN2O4} geometries filled by pairs of mutually trans terminal 3,5-dnb, py, and water ligands. However, the structures of 1 and 2 disclose distinct packing patterns driven by strong intermolecular O-H···O hydrogen bonds, leading to their 0D→2D (1) or 0D→1D (2) extension. The resulting two-dimensional layers and one-…

chemistry.chemical_classification010405 organic chemistryHydrogen bondChemistryBinding energyIntermolecular forceSpace groupCrystal structure010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographyOctahedronNon-covalent interactionsPhysical and Theoretical ChemistryIsostructuralInorganic chemistry
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Dyes That Bear Thiazolylazo Groups as Chromogenic Chemosensors for Metal Cations

2011

A family of dyes (L 1-L 6) that contain a thiazolylazo group as signalling subunit and several macrocyclic cavities with different ring sizes and type and number of heteroatoms as binding sites has been synthesized and characterized. Solutions of L 1-L 6 in acetonitrile show broad and structureless absorption bands in the 554-577 nm range with typicalmolar absorption coefficients that range from 20000 to 32000 M -1 cm -1. A detailed protonation study was carried out with solutions of L 1, L 2 and L 5 in acetonitrile. Addition of one equivalent of protons to L 1 and L 2 resulted in the development of a new band at 425 and 370 nm, respectively, which was ascribed to protonation in the aniline…

ChemosensorsHeteroatomQUIMICA INORGANICAProtonationMercuryCation sensorsPhotochemistryInorganic ChemistryMetalchemistry.chemical_compoundAzodyesDensity functional calculationsQUIMICA ORGANICAchemistryLeadAbsorption bandvisual_artBathochromic shiftQUIMICA ANALITICAvisual_art.visual_art_mediumMoietyDensity functional theoryAcetonitrileDyes
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Selective Gas and Vapor Sorption and Magnetic Sensing by an Isoreticular Mixed-Metal–Organic Framework

2012

A novel isoreticular oxamato-based manganese(II)-copper(II) open metal-organic framework H(2)O@iso1 featuring a pillared square/octagonal layer structure with alternating open and closed octagonal pores has been rationally prepared. The open-framework topology is responsible for a large selectivity in the separation of small gas (CO(2) over CH(4)) and vapor molecules (CH(3)OH over CH(3)CN and CH(3)CH(2)OH). H(2)O@iso1 displays a long-range three-dimensional ferromagnetic ordering with a drastic variation of the critical temperature as a function of the guest molecule [T(C)2.0 K (CO(2)@iso1 and CH(4)@iso1) and T(C) = 6.5 (CH(3)OH@iso1) and 21.0 K (H(2)O@iso1)].

Mixed metalChemistryInorganic chemistrychemistry.chemical_elementSorptionGeneral ChemistryManganeseBiochemistryCatalysisColloid and Surface ChemistryFerromagnetismMoleculePhysical chemistrySelectivityLayer (electronics)Topology (chemistry)Journal of the American Chemical Society
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Dinuclear copper(II) complexes as testing ground for molecular magnetism theory

2019

Abstract A leitmotiv in the field of molecular magnetism is the study of the electron exchange (EE) magnetic interactions among distant metal centers through the corresponding bridging ligands in polynuclear coordination compounds. The present review provides a historical perspective on the use of dinuclear copper(II) complexes with either simple inorganic or extended organic bridging ligands as experimental and theoretical models for the fundamental research on the relative importance of the spin delocalization and spin polarization mechanisms of the EE interaction across σ- and π-type orbital pathways. Particular focus is placed on the work by Professor Miguel Julve, outstanding researche…

chemistry.chemical_classificationSpin polarization010405 organic chemistryMagnetismElectron exchangeTheoretical modelschemistry.chemical_element010402 general chemistry01 natural sciencesCopper0104 chemical sciencesCoordination complexInorganic ChemistryDelocalized electronCrystallographychemistryMaterials ChemistryPhysical and Theoretical ChemistryPolyhedron
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Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and syste…

2019

A pair of cyanide-bridged 4d–3d heterobimetallic chiral macrocyclic enantiomeric magnetic complexes have been successfully assembled from the trans-dicyanoruthenium(III) building block [PPh4][Ru(Salen)(CN)2] (Salen = N,N-ethylenebis(salicylideneaminato)dianion) and [Mn((S,S/R,R)-Salcy)(H2O)2]ClO4 (Salcy = N,N′-(1,2-cyclohexanediylethylene)bis(salicylideneiminato)dianion) with the great help of the dihydrogen bond (DHB) interaction and characterized by elemental analysis, IR spectroscopy, circular dichroism (CD) and magnetic circular dichroism (MCD) spectroscopy. Single X-ray diffraction reveals that complex 1, {[Ru(Salen)(CN)2][R,R-Mn(Salcy)]}6·PPh3·6CH3CN·6CH3OH·12H2O, is a neutral dodecan…

Circular dichroismMaterials scienceMagnetismMagnetic circular dichroismInfrared spectroscopy02 engineering and technologyGeneral ChemistryCrystal structure010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesCrystallographyMaterials ChemistryDihydrogen bond0210 nano-technologySpectroscopyGround stateJournal of Materials Chemistry C
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Redox switching of the antiferromagnetic coupling in permethylated dicopper(ii) paracyclophanes

2012

A unique magnetic electroswitching behavior has been observed in an oxamato-based permethylated dicopper(II) paracyclophane; upon reversible one-electron oxidation of the double tetramethyl-substituted p-phenylenediamidate bridging skeleton, the spin alignment of the two Cu(II) ions (S(Cu) = ½) changes from antiparallel (OFF) to parallel (ON) in the resulting dicopper(II) π-radical cation species.

ChemistryMetals and AlloysGeneral ChemistryPhotochemistryRedoxCatalysisAntiferromagnetic couplingSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyMaterials ChemistryCeramics and CompositesAntiparallel (electronics)Chemical Communications
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Synthesis, Crystal Structure, Magnetic Properties, and Theoretical Studies of [{Cu(mepirizole)Br}2(μ-OH)(μ-pz)] (Mepirizole = 4-Methoxy-2-(5-methoxy-…

2003

A novel mu-pyrazolato-mu-hydroxo-dibridged copper(II) complex has been synthesized and structurally characterized: [(Cu(mepirizole)Br)2(mu-OH)(mu-pz)] (mepirizole=4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine; pz=pyrazolate). The title compound crystallizes in the monoclinic system, space group P2(1)/c, with a=15.618(2) A, b=15.369(3) A, c=16.071(3) A, and beta=112.250(1) degrees. The structure is built up of dinuclear [(Cu(mepirizole)Br)2(mu-OH)(mu-pz)] units with five-coordinated copper(II) ions (CuBrN3O chromophores) linked by mu2-OH and mu2-pyrazolato bridges that are well separated from each others. The intramolecular copper-copper distance is 3.378(3) A. Magnetic…

Models MolecularChemical PhenomenaChemistry PhysicalBand gapStereochemistryIronchemistry.chemical_elementCrystal structureChromophoreCrystallography X-RayLigandsCopperMagnetic susceptibilityIonInorganic ChemistryMagneticsCrystallographychemistryIntramolecular forceIndicators and ReagentsEpirizolePhysical and Theoretical ChemistryMonoclinic crystal systemInorganic Chemistry
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Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical …

2021

Two new complexes [CoIII2CoII(μ-OL)2(μ-OOCCH3)2(μ-N3)2(N3)2]·Et2O (1·Et2O) and [NiII5(μ-OL)4(μ-OOCCH3)2(OOCCH3)2(μ-N3)2]·CH3CN (2) (HOL = 2-((2-(pyridin-2-yl)ethylamino)methyl)phenol) have been synthesized and characterized by elemental analysis, IR, and UV/Vis spectroscopy. Structural analysis revealed that 1 is a discrete trinuclear and 2 is a discrete pentanuclear coordination complex. In complex 1, terminal metal (CoIII) is in a distorted octahedral MN4O2 environment where coordination is satisfied by two nitrogen atoms and one oxygen atom of the ligand, and an oxygen atom from the acetate group and two nitrogen atoms from azide (one each from the bridging and terminal ones). The centra…

chemistry.chemical_classificationLigandGeneral ChemistryCrystal structureMagnetic susceptibilityCatalysisCoordination complexchemistry.chemical_compoundCrystallographychemistryOctahedronPyridineMaterials ChemistryAntiferromagnetismAzideNew Journal of Chemistry
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Slow magnetic relaxation and water oxidation activity of dinuclear CoIICoIII and unique triangular CoIICoIICoIII mixed-valence complexes

2020

Construction of efficient multifunctional materials is one of the greatest challenges of our time. We herein report the magnetic and catalytic characterization of dinuclear [CoIIICoII(HL1)2(EtOH)(H2O)]Cl·2H2O (1) and trinuclear [CoIIICoII2(HL2)2(L2)Cl2]·3H2O (2) mixed valence complexes. Relevant structural features of the complexes have been mentioned to correlate with their magnetic and catalytic properties. Unique structural features, especially in terms of significant distortions around the CoII centre(s), prompted us to test both spin–orbit coupling (SOC) and zero field splitting (ZFS) methodologies for the systems. The positive sign of D values has been established from X-band EPR spec…

Valence (chemistry)Materials sciencechemistry.chemical_elementAtmospheric temperature rangeZero field splittingSpectral lineCatalysislaw.inventionInorganic ChemistryMagnetizationCrystallographychemistrylawElectron paramagnetic resonanceCobaltDalton Transactions
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Dicopper(II) Metallacyclophanes as Multifunctional Magnetic Devices: A Joint Experimental and Computational Study

2015

Metallosupramolecular complexes constitute an important advance in the emerging fields of molecular spintronics and quantum computation and a useful platform in the development of active components of spintronic circuits and quantum computers for applications in information processing and storage. The external control of chemical reactivity (electro- and photochemical) and physical properties (electronic and magnetic) in metallosupramolecular complexes is a current challenge in supramolecular coordination chemistry, which lies at the interface of several other supramolecular disciplines, including electro-, photo-, and magnetochemistry. The specific control of current flow or spin delocaliz…

chemistry.chemical_classificationDelocalized electronSpintronicschemistrySupramolecular chemistryMoleculeNanotechnologyGeneral MedicineGeneral ChemistryElectronicsQuantum computerSpin-½Coordination complexAccounts of Chemical Research
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Solid-State Molecular Nanomagnet Inclusion into a Magnetic Metal-Organic Framework: Interplay of the Magnetic Properties.

2015

Single-ion magnets (SIMs) are the smallest possible magnetic devices and are a controllable, bottom-up approach to nanoscale magnetism with potential applications in quantum computing and high-density information storage. In this work, we take advantage of the promising, but yet insufficiently explored, solid-state chemistry of metal-organic frameworks (MOFs) to report the single-crystal to single-crystal inclusion of such molecular nanomagnets within the pores of a magnetic MOF. The resulting host-guest supramolecular aggregate is used as a playground in the first in-depth study on the interplay between the internal magnetic field created by the long-range magnetic ordering of the structur…

010405 organic chemistryMagnetismChemistryOrganic ChemistrySupramolecular chemistryPhysics::OpticsNanotechnologyGeneral Chemistry010402 general chemistry01 natural sciencesNanomagnetCatalysis0104 chemical sciencesMagnetic fieldMagnetMetal-organic frameworkNanoscopic scaleQuantum computerChemistry (Weinheim an der Bergstrasse, Germany)
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Magnetic Properties of a New Hexahalorhenate(IV) Compound and Structural Comparison with Its Hexahaloplatinate(IV) Analog

2020

Inorganic ChemistryHalides. Magnetic properties. Platinum. Rhenium. Transition metalsRheniumChemistryMagnetic propertiesPhysical chemistryTransition metalsHalidesPlatinumEuropean Journal of Inorganic Chemistry
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Topological Versatility of Oxalate-Based Bimetallic One-Dimensional (1D) Compounds Associated with Ammonium Cations

2012

A new family of oxalate-bridged chains of formula (C(1))[Mn(H(2)O)(3)Cr(ox)(3)]·H(2)O (1), (C(2))(4)[Mn(2)(H(2)O)(3)ClCr(2)(ox)(6)]Cl·H(2)O·2C(2)H(6)O (2a), (C(2))(4)[Co(2)(H(2)O)(3)ClCr(2)(ox)(6)]Cl·2H(2)O·2C(2)H(6)O (2b), [Mn(C(3))(H(2)O)(2)Cr(ox)(3)]·H(2)O (3), and (C(4))(4)[Mn(H(2)O){Cr(ox)(3)}(2)]·H(2)O (4) [C(1)(+) = tetramethylammonium, C(2)(+) = 4-N,N-dimethylaminopyridinium, C(3)(+) = 1-hydroxyethyl-4-N,N-dimethylamino-pyridinium, C(4)(+) = 1-hydroxyethyl-4-(4'-dimethylamino-α-styryl)-pyridinium, ox(2-) = oxalate] have been synthesized by self-assembly of the (C(n))(3)[Cr(ox)(3)] (n = 1-4) mononuclear compound and the chloride salts of the corresponding metal(II) ions. The crystal …

Tetramethylammonium010405 organic chemistryInorganic chemistrySpace groupCrystal structure010402 general chemistry01 natural sciencesChlorideOxalate0104 chemical sciences3. Good healthInorganic ChemistryMetalchemistry.chemical_compoundCrystallographychemistryvisual_artmedicinevisual_art.visual_art_medium[CHIM]Chemical SciencesAmmoniumPhysical and Theoretical ChemistryBimetallic stripComputingMilieux_MISCELLANEOUSmedicine.drugInorganic Chemistry
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Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal-organic framework.

2015

Single-ion magnets (SIMs) are the smallest possible magnetic devices for potential applications in quantum computing and high-density information storage. Both, their addressing in surfaces and their organization in metal-organic frameworks (MOFs) are thus current challenges in molecular chemistry. Here we report a two-dimensional 2D MOF with a square grid topology built from cobalt(ii) SIMs as nodes and long rod-like aromatic bipyridine ligands as linkers, and exhibiting large square channels capable to host a large number of different guest molecules. The organization of the cobalt(ii) nodes in the square layers improves the magnetic properties by minimizing the intermolecular interaction…

Square tiling010405 organic chemistryIntermolecular forcechemistry.chemical_elementNanotechnologyGeneral Chemistry010402 general chemistry01 natural sciences0104 chemical sciencesCrystallographyBipyridinechemistry.chemical_compoundchemistryMagnetMoleculeMetal-organic frameworkCobaltTopology (chemistry)Chemical science
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Dicopper(II) metallacyclophanes with photoswitchable oligoacene spacers: a joint experimental and computational study on molecular magnetic photoswit…

2018

Dinuclear copper(II) complexes of the metallacyclophane-type, (nBu4N)4[Cu2(2,6-anba)2] (1) and (nBu4N)4[Cu2(1,5-naba)2]·4H2O (2) with photoactive 2,6-anthracene-(2,6-anba) and 1,5-naphthalenebis(oxamate) (1,5-naba) bridging ligands, are reported. They undergo a thermally reversible, solid-state photomagnetic (ON/OFF) switching between the moderately strong antiferromagnetically coupled dicopper(II) species and the corresponding magnetically uncoupled [4+4] photocycloaddition product. Density functional calculations give further insights on the intramolecular (“pseudo-bimolecular”) photocycloaddition reaction of the two facing 2,6-anthracene or 1,5-naphthalene spacers in this novel family of…

Spintronics010405 organic chemistryChemistryIntermetallicchemistry.chemical_elementOligoacenes010402 general chemistry01 natural sciencesCopper0104 chemical sciencesIonPhotochemical reactivityCrystallographyDensity functional calculationsIntramolecular forceMagnetic propertiesMaterials ChemistryAntiferromagnetismPhotochemical reactivityPhysical and Theoretical ChemistryCopper
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Solid-state dinuclear-to-trinuclear conversion in an oxalato-bridged chromium(III)-cobalt(II) complex as a new route toward single-molecule magnets.

2011

A novel bis(oxalato)chromium(III) salt of a ferromagnetically coupled, oxalato-bridged dinuclear chromium(III)-cobalt(II) complex of formula [CrL(ox)(2)CoL'(H(2)O)(2)][CrL(ox)(2)]·4H(2)O (1) has been self-assembled in solution using different aromatic α,α'-diimines as blocking ligands, such as 2,2'-bipyridine (L = bpy) and 2,9-dimethyl-1,10-phenanthroline (L' = Me(2)phen). Thermal dehydration of 1 leads to an intriguing solid-state reaction between the S = 3/2 Cr(III) anions and the S = 3 Cr(III)Co(II) cations to give a ferromagnetically coupled, oxalato-bridged trinuclear chromium(III)-cobalt(II) complex of formula {[CrL(ox)(2)](2)CoL'} (2). Complex 2 possesses a moderately anisotropic S =…

chemistry.chemical_classificationChromiumModels MolecularOxalatesSolid-stateMolecular Conformationchemistry.chemical_elementSalt (chemistry)StereoisomerismStereoisomerismCobaltInorganic ChemistryCrystallographyBipyridinechemistry.chemical_compoundChromiumMagneticschemistryOrganometallic CompoundsMoleculePhysical and Theoretical ChemistryGround stateCobaltInorganic chemistry
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Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand

2020

Thermal-assisted spin crossover and field-induced slow magnetic relaxation coexist in the solid state for the mononuclear cobalt(II) complex with the non-innocent 2,6-bis(N-4-methoxyphenylformimidoyl)pyridine ligand. One-electron oxidation of the paramagnetic low-spin CoII ion (SCo = 1/2) to the diamagnetic low-spin CoIII ion (SCo = 0) leads to the electroswitching of the slow magnetic relaxation in acetonitrile solution.

Materials sciencechemistry.chemical_element02 engineering and technology010402 general chemistry01 natural sciencesCatalysisIonParamagnetismchemistry.chemical_compoundSpin crossoverMaterials ChemistrySingle-molecule magnetAcetonitrileLigandMetals and AlloysGeneral Chemistry021001 nanoscience & nanotechnology3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographychemistryCeramics and CompositesDiamagnetismCondensed Matter::Strongly Correlated Electrons0210 nano-technologyCobaltChemical Communications
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Unprecedented heptacopper(ii) cluster with body-centred anti-prismatic topology. Structure, magnetism and density functional study

2011

Using a (2-pyridyl)ethylamine-appended carboxylate ligand a new cluster [Cu(II)(7)(L)(4)(μ(3)-OH)(2)(H(2)O)(2)(DMF)(2)][ClO(4)](4)·4H(2)O (1) [L(2-): N-{CH(2)CH(2)(2-pyridyl)}(CH(2)CH(2)CO(2))(2)] is synthesized, as a result of 'coordination-driven self-assembly'. The structure of 1 is unique and consists of a centrosymmetric carboxylato- and hydroxo-bridged heptanuclear copper(II) cation, with body-centred anti-prismatic topology. The four crystallographically independent copper(II) centres differ markedly in their coordination geometry. In addition to establishing cluster authenticity, the structural analysis of 1 discloses two notable features. The existence of {Cu(II)(3)(μ(3)-OH)}(5+) c…

ChemistryMagnetismLigandchemistry.chemical_elementTopologyCopperInorganic ChemistryCrystallographychemistry.chemical_compoundCluster (physics)AntiferromagnetismCarboxylateTopology (chemistry)Coordination geometryDalton Transactions
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Molecular magnetism, quo vadis? A historical perspective from a coordination chemist viewpoint☆

2017

Abstract Molecular magnetism has travelled a long way from the pioneering studies on electron exchange and double exchange or spin crossover and valence tautomerism in small oligonuclear complexes, from mono- to di- and tetranuclear species, to the current investigations about magnetic anisotropy and spin dynamics or quantum coherence of simple mono- or large polynuclear complexes, behaving as switchable bistable molecular nanomagnets for potential applications in information data storage and processing. In this review, we focus on the origin and development of the research in the field of molecular magnetism from a coordination chemistry viewpoint, which dates back to the establishment of …

chemistry.chemical_classificationValence (chemistry)Spintronics010405 organic chemistryMagnetismNanotechnology010402 general chemistry01 natural sciences0104 chemical sciencesCoordination complexInorganic ChemistrychemistrySpin crossoverMagnetochemistryMaterials ChemistryPhysical and Theoretical ChemistryQuantumQuantum computerCoordination Chemistry Reviews
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Tuning the Spin Ground State in Heterononanuclear Nickel(II)−Copper(II) Cylinders with a Triangular Metallacyclophane Core

2010

3 páginas, 2 figuras, 1 gráfico.-- et al.

Inorganic ChemistryNickelCrystallographychemistrychemistry.chemical_elementTrimerPhysical and Theoretical ChemistryGround stateCopperStoichiometry
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Unexpected formation of a dodecanuclear {CoII6CuII6} nanowheel under ambient conditions: magneto-structural correlations.

2021

We report the unique heterobimetallic dodecanuclear oxamate-based {CoII6CuII6} nanowheel obtained using an environmentally friendly synthetic protocol. The effective Hamiltonian methodology employed herein allows the rationalisation of magnetic isotropic or anisotropic metal clusters, being a significant advance for future studies of exciting properties only observed at low and ultralow temperatures.

Inorganic ChemistryMaterials scienceFuture studiesChemical physicsIsotropyAnisotropyMagnetoEnvironmentally friendlyHamiltonian (control theory)Metal clustersDalton transactions (Cambridge, England : 2003)
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Dicopper(II) Metallacyclophanes with N,N'-2,6-Pyridinebis(oxamate): Solution Study, Synthesis, Crystal Structures, and Magnetic Properties.

2016

The complexing ability of copper(II) in solution by the ligand N,N'-2,6-pyridinebis(oxamic acid) (H4mpyba, H4L) was determined through potentiometric and UV-vis spectroscopy at 25 °C and 0.15 M NaCl. The logarithms of the equilibrium constants for its copper(II) complexes according to the eqs 2H2L + 2Cu ⇆ [Cu2(H2L)2], 2H2L + 2Cu ⇆ [Cu2(H2L) (HL)] + H, 2H2L + 2Cu ⇆ [Cu2(HL)2] + 2H, 2H2L + 2Cu ⇆ [Cu2(HL)(L)] + 3H, and 2H2L + 2Cu ⇆ [Cu2L2] + 4H were 12.02(7), 8.04(5), 1.26(6), -7.51(6), and -16.36(6), respectively. The knowledge of the solution behavior has supported the synthesis of three new compounds bearing the common building block Cu2L2(4-). Their formulas are (Me4N)4[Cu2(mpyba)2(H2O)2]·…

Tetramethylammonium010405 organic chemistryStereochemistryLigandPotentiometric titrationOxamic acidchemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesCopper0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryPhysical and Theoretical ChemistrySpectroscopyEquilibrium constantInorganic chemistry
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Metallosupramolecular approach toward multifunctional magnetic devices for molecular spintronics

2015

Abstract The work presented in this review constitutes a successful extension of our group's research on the chemistry and physics of dinuclear copper(II) metallacyclophanes with aromatic polyoxalamide ligands. The design and synthesis of metallacyclic complexes that contain multiple electro- and photoactive (either metal- or ligand-based) spin carriers and the study of their spectroscopic and magnetic properties as well as their redox and photochemical activity are of large interest in the multidisciplinary field of metallosupramolecular chemistry. In doing this, a ligand design approach has been followed which is based on the copper(II)-mediated self-assembly of bis(oxamato) bridging liga…

Spintronics010405 organic chemistryChemistryLigandMagnetismSupramolecular chemistryMolecular electronicsNanotechnology010402 general chemistryElectrochemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMagnetochemistryMaterials ChemistryMolecule[CHIM]Chemical SciencesPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUS
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Single-ion magnet behaviour in mononuclear and two-dimensional dicyanamide-containing cobalt(ii) complexes.

2016

Three cobalt(II) complexes of formulae [Co(dca)2(bim)4] (1), [Co(dca)2(bim)2]n (2) and [Co(dca)2(bmim)2]n (3) [dca = dicyanamide, bim = 1-benzylimidazole and bmim = 1-benzyl-2-methylimidazole] were prepared and structurally analyzed by single-crystal X-ray crystallography. Compound 1 is a mononuclear species where the cobalt(II) ion is six-coordinate with four bim molecules in the equatorial positions [Co–Nbim = 2.1546(15) and 2.1489(15) A] and two trans-positioned dca ligands [Co–Ndca = 2.1575(18) A] in the axial sites of a somewhat distorted octahedral surrounding. The structures of 2 and 3 consist of two-dimensional grids of cobalt(II) ions where each metal atom is linked to the other fo…

Magnetic moment010405 organic chemistryChemistryStereochemistrychemistry.chemical_element010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesIonInorganic ChemistryMetalchemistry.chemical_compoundCrystallographyOctahedronvisual_artvisual_art.visual_art_mediumMoleculeCobaltDicyanamideDalton transactions (Cambridge, England : 2003)
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Slow relaxation of the magnetization in a {CoIIIMnIII} heterometallic brick-wall network

2021

Abstract The use of the cyanide-bearing dicobalt(III) complex (PPh4)2[Co2III(μ−2,5-dpp)(CN)8] as a metalloligand towards [Mn(salen)(H2O)]ClO4 afforded the heterobimetallic two-dimensional compound of formula [{MnIII(salen)}2{(μ-NC)4Co2III(μ−2,5-dpp)(CN)4}]n (1) [PPh4+ = teraphenylphosphonium cation, 2,5-dpp = 2,5-bis(2-pyridyl)pyrazine and H2salen = N,N’-ethylenebis(salicylideneimine)] whose structure has been determined by single crystal X-ray diffraction. Compound 1 exhibits a neutral brick-wall structure, where each [Co2III(μ−2,5-dpp)(CN)8]2− unit adopts a tetrakis-monodentate bridging mode towards four {MnIII(salen)}+ fragments through four of its eight cyanide ligands. Each cobalt(III)…

Pyrazine010405 organic chemistryChemistryRelaxation (NMR)chemistry.chemical_elementManganese010402 general chemistry01 natural sciences0104 chemical sciencesIonInorganic ChemistryMagnetizationchemistry.chemical_compoundCrystallographyOctahedronMaterials ChemistryMoleculePhysical and Theoretical ChemistrySingle crystalPolyhedron
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Inside Cover: Oligo-m-phenyleneoxalamide Copper(II) Mesocates as Electro-Switchable Ferromagnetic Metal-Organic Wires (Chem. Eur. J. 43/2010)

2010

MetalFerromagnetismChemistryvisual_artOrganic ChemistryInorganic chemistryvisual_art.visual_art_mediumchemistry.chemical_elementCover (algebra)General ChemistryCopperCatalysisChemistry - A European Journal
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Fatty Acid Carboxylate- and Anionic Surfactant-Controlled Delivery Systems That Use Mesoporous Silica Supports

2010

We report the preparation of a MCM-41 mesoporous material that contains the dye [Ru(bipy) 3 ]Cl 2 (bipy= bipyridine) inside the mesopores and functionalised with suitable binding groups at the entrance of the pores. Solids S1―S3 were obtained by the reaction of the mesoporous material with N-methyl-N'-propyltrimethoxysilylimidazolium chloride, N-phenyl-N'-[3-(trimethoxysilyl)propyl]thiourea, or N-phenyl-N'-[3-(trimethoxysilyl)propy1]urea, respectively. A study of the dye delivery of these systems in buffered water (pH 7.0, 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (HEPES), 10 ―3 mol dm ―3 ) in the presence of a family of carboxylate ions was carried out. In the interaction of …

ChemistryOrganic ChemistryInorganic chemistryGeneral ChemistryMesoporous silicaChlorideCatalysisBipyridinechemistry.chemical_compoundThioureaPolymer chemistrymedicineEthanesulfonic acidCarboxylateHybrid materialMesoporous materialmedicine.drugChemistry - A European Journal
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Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy

2012

International audience; The novel mononuclear Co(II) complex cis-[Co-II(dmphen)(2)(NCS)(2)]center dot 0.25EtOH (1) (dmphen = 2,9-dimethyl-1,10-phenanthroline) features a highly rhombically distorted octahedral environment that is responsible for the strong positive axial and rhombic magnetic anisotropy of the high-spin Co-II ion (D = +98 cm(-1) and E = +8.4 cm(-1)). Slow magnetic relaxation effects were observed for 1 in the presence of a dc magnetic field, constituting the first example of field-induced single-molecule magnet behavior in a mononuclear six-coordinate Co(II) complex with a transverse anisotropy energy barrier.

[PHYS]Physics [physics]Anisotropy energy010405 organic chemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis3. Good health0104 chemical sciencesMagnetic fieldIonCrystallographyMagnetic anisotropyColloid and Surface ChemistryNuclear magnetic resonancechemistryOctahedronMagnetAnisotropyCobalt
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Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic p…

2009

The reaction of Kpymca (pymca = pyrimidine-2-carboxylato anion) with MX2·6H2O and tmda (N,N,N′,N′-tetramethylethylenediamine) in 1 : 3 : 3 molar ratio, using a MeOH/water mixture (3 : 1) as solvent, afforded the hexanuclear complexes [M6(µ-pymca)6(tmda)6]X6·4H2O (M = NiII, X = ClO4−1, BF4−2; M = CoII, X = ClO4−3). The reaction of pymca with either Cu(ClO4)2·6H2O or Cu(BF4)2·6H2O did not lead to any definite product. However, in the presence of strong coordinating chloride anions the linear tetranuclear complex [Cu4(µ-pymca)3Cl(H2O)](ClO4)4·4.5H2O 4 could be obtained. The structures of 1–3 are very similar and consist of wheel-shaped hexanuclear [M6(µ-pymca)6(tmda)6]6+ cations, with pseudo-D…

LigandMetal ions in aqueous solutionInorganic chemistrychemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsCopperMagnetic susceptibilityInductive couplingIonCrystallographychemistryAntiferromagnetismGeneral Materials ScienceChelationCrystEngComm
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.Single-Ion Magnetic Behaviour in an Iron(III) Porphyrin Complex: A Dichotomy Between High Spin and 5/2-3/2 Spin Admixture

2020

International audience; A mononuclear iron(III) porphyrin compound exhibiting unexpectedly slow magnetic relaxation, which is a characteristic of single-ion magnet behaviour, is reported. This behaviour originates from the close proximity (approximate to 550 cm(-1)) of the intermediate-spinS=3/2 excited states to the high-spinS=5/2 ground state. More quantitatively, although the ground state is mostlyS=5/2, a spin-admixture model evidences a sizable contribution (approximate to 15 %) ofS=3/2 to the ground state, which as a consequence experiences large and positive axial anisotropy (D=+19.2 cm(-1)). Frequency-domain EPR spectroscopy allowed them(S)= |+/- 1/2⟩->|+/- 3/2&Rig…

porphyrinoids010402 general chemistry[MATH.MATH-FA]Mathematics [math]/Functional Analysis [math.FA]01 natural sciencesMolecular physicsCatalysislaw.inventionMagnetizationchemistry.chemical_compoundiron[PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph]lawMössbauer spectroscopy[CHIM.COOR]Chemical Sciences/Coordination chemistryAnisotropyElectron paramagnetic resonanceSpin (physics)010405 organic chemistryChemistryOrganic ChemistryGeneral ChemistryPorphyrin0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryExcited statesingle-ion magnetsdensity functional calculationsmagnetic propertiesGround state
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Countercomplementarity and Strong Ferromagnetic Coupling in a Linear Mixed μ-Acetato, μ-Hydroxo Trinuclear Copper(II) Complex. Synthesis, Structure, …

2001

The structural and magnetic data of the trinuclear compound [Cu3(L)2(CH3COO)2(OH)2(dmf)2] (HL = N-(2-methylpyridyl)toluensulfonylamide) are reported. The compound crystallizes in the monoclinic system, space group P2(1)/n (no. 14), with a = 11.6482(6) A, b = 13.5772(6) A, c = 13.5306(7) A, alpha = 90 degrees, beta = 92.859(5) degrees, gamma = 90 degrees, and Z = 2. The three copper atoms form an exact linear arrangement. Neighboring coppers are connected by a hydroxo bridge and a bidentate syn-syn carboxylato group. The coordination spheres of the terminal copper atoms are square pyramidal with a dmf molecule as the apical ligand. The central copper has a regular square planar geometry. The…

Denticitychemistry.chemical_elementDihedral angleCopperSquare pyramidal molecular geometrylaw.inventionInorganic ChemistryCrystallographychemistrylawMoleculeMoietyPhysical and Theoretical ChemistryElectron paramagnetic resonanceMonoclinic crystal systemInorganic Chemistry
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Magnetic order in a CuII–DyIII oxamato-based two-dimensional coordination polymer

2019

Abstract We report the synthesis, crystal structure, and magnetic characterization of a novel two-dimensional copper(II)–dysprosium(III) coordination polymer of formula [LiI(OH2)4]2[DyIIICuII2(Me2pma)4Cl(H2O)] . 4H2O (1) [Me2pma = N-2,6-dimethylphenyloxamate]. Compound 1 was obtained using the mononuclear anionic complex [CuII(Me2pma)2]2–, as a bis(bidentate) metalloligand toward solvated dysprosium(III) cations, and it shows a square [DyIIICuII2] layered structure of (44.62) net topology. Interestingly, the combination of two factors, the well-known efficiency of oxamato ligands to transmit strong magnetic couplings between neighboring atoms and such structural topology, is responsible for…

LanthanideSolucions polimèriquesDenticityMaterials science010405 organic chemistryCoordination polymerGeneral Chemical Engineeringchemistry.chemical_elementQuímicaGeneral ChemistryCrystal structure010402 general chemistry01 natural sciencesCopper0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryFerromagnetismDysprosiumTopology (chemistry)Comptes Rendus Chimie
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ChemInform Abstract: Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints

2010

Abstract The spin density distribution in transition metal complexes is discussed in qualitative terms, taking into account the coexistence of spin delocalization and spin polarization mechanisms, with the help of numerical results for several complexes obtained from density functional calculations. The covalent character of the metal-ligand bonds as well as the σ- or π-characteristics of the partially filled d orbitals must be taken into account to qualitatively predict the sign of the spin density at a particular atom within a ligand. The same patterns can be applied to binuclear complexes and can be helpful in determining the ferro- or antiferromagnetic character of the exchange coupling…

Delocalized electronParamagnetismCondensed matter physicsAtomic orbitalTransition metalSpin polarizationChemistryAntiferromagnetismCondensed Matter::Strongly Correlated ElectronsMolecular orbitalGeneral MedicineSpin-½ChemInform
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Cover Feature: Design of Magnetic Coordination Polymers Built from Polyoxalamide Ligands: A Thirty Year Story (Eur. J. Inorg. Chem. 3‐4/2018)

2018

Inorganic Chemistrychemistry.chemical_classificationPolymer scienceChemistryCover (algebra)PolymerFeature designEuropean Journal of Inorganic Chemistry
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Iso-valence Co(II) and mixed-valence Co(II/III) tetranuclear complexes: Synthesis, structure, magnetic properties and DFT study

2013

Abstract The reaction of Co(ClO4)2·6H2O with symmetrical N4O3 coordinating heptadentate ligand (H3L) in presence of triethylamine yielded cobalt(II) tetranuclear complexes [Co4(L)2](ClO4)2, 1. When the same reaction is carried out with sodium azide instead of triethylamine afforded tetranuclear mixed-valence Co(II/III) species, [Co4(L)2(μ1,3–N3)2](ClO4)2, 2. Here L3− is the deprotonated form of 2,6-bis[{{(1-hydroxy-2-methylpropan-2-yl)(pyridine-2-ylmethyl)}amino}methyl]-4-methylphenol. Complex 1 crystallizes in the cubic system, space group Fd-3c, with unit-cell parameters a = b = c = 43.320(5) A, Z = 48, whereas complex 2 crystallizes in the space group I41/a in the tetragonal crystal syst…

Valence (chemistry)Stereochemistrychemistry.chemical_elementCrystal structureInorganic Chemistrychemistry.chemical_compoundTetragonal crystal systemParamagnetismCrystallographyDeprotonationchemistryMaterials ChemistryDensity functional theoryPhysical and Theoretical ChemistryTriethylamineCobaltPolyhedron
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Slow Magnetic Relaxation in a Co (II)–Y (III) Single‐Ion Magnet with Positive Axial Zero‐Field Splitting

2013

This work was supported by the MINECO (Spain) (Project CTQ2011-24478), the Junta de Andalucía (FQM-195 and Project of excellence P08-FQM-03705), and the University of Granada. E.R. and E.Cr. thank MINECO grant No. CTQ2011-23862-C02-01 and Generalitat de Catalunya grant No. 2009SGR-1459, for financial support. We would like to thank Prof. Liviu Chibotaru for providing us the SINGLE_ANISO program and Dr. Andrew Ozarowski for the EPR simulation software. E.K.B. thanks the EPSRC and Leverhulme Trust for financial support. The NHMFL is funded by the NSF, DoE, and the state of Florida. J.C. acknowledges financial support by the Spanish Ministerio de Ciencia e Innovación through projects CTQ2010-1…

DYNAMICSModels Molecularpositive zero-field splittingINSchemistry.chemical_elementZero field splitting010402 general chemistry01 natural sciences7. Clean energyCatalysisO ligandsMOLECULE MAGNETNuclear magnetic resonancesingle ion magnetsYttriumMagnetic relaxationCompartmental ligandAnisotropyHYSTERESISComputingMilieux_MISCELLANEOUSANISOTROPY[PHYS]Physics [physics]IonsMolecular StructureCondensed matter physicsSingle ion010405 organic chemistryChemistryCobaltGeneral ChemistryYttriumNBARRIERcobaltCo(II)FAMILY0104 chemical sciencesyttriumHysteresisPositive axial ZFSDYSPROSIUM(III)TBMagnetic FieldsMagnetMagnetsSingle ion magnetCOMPLEXESCobaltBEHAVIOR
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Magnetic coupling in discrete cyano-bridged Mn(III)-Fe(III) motifs: synthesis, crystal structure, magnetic properties and theoretical study.

2010

The preparation, crystal structures and magnetic properties of the heterobimetallic complexes of formula [Mn(III)(n-MeOsalen)(H(2)O)(mu-CN)Fe(III)(bpym)(CN)(3)]·mH(2)O with n = m = 3 (1) and n = 4 and m = 2 (2) [n-MeOsalen(2-) = N,N'-ethylenebis(n-methoxysalicylideneiminate) dianion and bpym = 2,2'-bipyrimidine] are reported. 1 and 2 are dinuclear neutral species where the cyano-bearing low-spin unit [Fe(III)(bpym)(CN)(4)](-) acts as a monodentate ligand towards the [Mn(III)(SB)(solv)(x)](+) entity (SB = tetradentate Schiff-base) through one of its four cyano groups. Adjacent heterobimetallic units are interlinked through hydrogen bonds involving the coordinated water molecule of one dinucl…

Inorganic ChemistryCrystallographyDenticityHydrogen bondChemistryStereochemistryMoleculeAntiferromagnetismDensity functional theoryCrystal structureAtmospheric temperature rangeInductive couplingDalton transactions (Cambridge, England : 2003)
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Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks

2017

In the series described in this work, the hydrothermal synthesis led to oxidation of the 5-methyl-pyrazinecarboxylate anion to the 2,5-pyrazinedicarboxylate dianion (2,5-pzdc) allowing the preparation of three-dimensional (3D) lanthanide(III) organic frameworks of formula {[Ln2(2,5-pzdc)3(H2O)4]·6H2O}n [Ln = Ce (1), Pr (2), Nd (3), and Eu (4)] and {[Er2(2,5-pzdc)3(H2O)4]·5H2O}n (5). Single-crystal X-ray diffraction on 1–5 reveals that they crystallize in the triclinic system, P1 space group with the series 1–4 being isostructural. The crystal structure of the five compounds are 3D with the lanthanide(III) ions linked through 2,5-pzdc2– dianions acting as two- and fourfold connectors, buildi…

BinodalLanthanidePhotoluminescence010405 organic chemistryChemistryInorganic chemistryCrystal structureTriclinic crystal system010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographyHydrothermal synthesisPhysical and Theoretical ChemistryIsostructuralLuminescenceInorganic Chemistry
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Multielectron transfer in a dicopper(II) anthraquinophane.

2013

The new dinuclear copper(II) metallacyclophane with the non-innocent N,N'-1,4-bis(oxamate)-9,10-anthraquinone bridging ligand possesses a dual multielectron redox behavior featuring stepwise one-electron oxidation of the antiferromagnetically coupled Cu(II) ions and two-electron reduction of the anthraquinone spacers in a π-stacked anti conformation.

Metals and Alloyschemistry.chemical_elementBridging ligandGeneral ChemistryPhotochemistryAnthraquinoneCopperRedoxCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographychemistry.chemical_compoundchemistryAlkane stereochemistryMaterials ChemistryCeramics and CompositesChemical communications (Cambridge, England)
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Slow relaxation of the magnetization in Oximato-bridged heterobimetallic Copper(II)-Manganese(III) chains

2011

The use of the oximato-containing copper(II) complexes, [Cu(Hdeg)2] (H2deg = diethylglyoxime), [Cu(Hmeg)2] (H2meg = methylethylglyoxime) and [Cu(Hdmg)2] (H2dmg = dimethylglyoxime), as ligands toward manganese(II) acetate in methanol afforded the heterobimetallic compounds of formula [MnCu(deg)2(CH3COO)(H2O)2] (1), [MnCu(meg)2(CH3COO)(H2O)2] (2) and [MnCu(dmg)2(CH3COO)(H2O)2] (3) where the starting manganese(II) ion was oxidized to manganese(III) by air. In the lack of single crystals suitable for X-ray diffraction analysis, X-ray absorption techniques (EXAFS and XANES) at 40 K were used for the structural characterization of 1-3. The analysis of the X-ray absorption data reveals that 1-3 ar…

Extended X-ray absorption fine structureInorganic chemistrychemistry.chemical_elementGeneral ChemistryManganeseCopperXANESCrystallographyMagnetizationchemistry.chemical_compoundDimethylglyoximechemistryFerromagnetismAntiferromagnetismJournal of the Brazilian Chemical Society
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Design of Magnetic Coordination Polymers Built from Polyoxalamide Ligands: A Thirty Year Story

2018

International audience; The aim of this review is to pay tribute to the legacy of O. Kahn. Kahn's credo was to synthesize magnetic compounds with predictable structure and magnetic properties. This is illustrated herein with results obtained by Kahn's group during his Orsay period thirty years ago, but also on the basis of our recent results on the synthesis of coordination polymers with oxamate ligands. The first part of this review is devoted to a short description of the necessary knowledge in physics and theoretical chemistry that Kahn and his group have used to select oxamate ligands, the complex‐as‐ligand strategy and the synthesis of heterobimetallic systems. Then, we describe the st…

Flexibility (engineering)010405 organic chemistryCoordination polymerLigandNanotechnology010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compound[CHIM.POLY]Chemical Sciences/PolymerschemistryChemical physicsMagnetTheoretical chemistryMoleculeMetal-organic framework[CHIM.COOR]Chemical Sciences/Coordination chemistryChirality (chemistry)
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Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n.

2015

Two new Re(iv) compounds of formulae H2tppz[ReCl6] (1) and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n (2) [tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine and bpzm = bis(pyrazolyl-1-yl)methane] have been prepared and their crystal structures determined by X-ray diffraction on single crystals. Compound 1 is a mononuclear species whose structure consists of octahedral hexachlororhenate(iv) anions and diprotonated H2tppz(2+) cations which are arranged in the unit cell as alternating anionic and cationic layers, held together by electrostatic forces. The structure of 2 is made up of alternating [Cu(1)(bpzm)2](2+) and [(ox)ReCl3(μ-Cl)Cu(2)(bpzm)2(μ-Cl)ReCl3(ox)](2-) entities interlinked …

Inorganic Chemistrychemistry.chemical_compoundCrystallographyDenticityOctahedronFerromagnetismPyrazineChemistryAntiferromagnetismCrystal structureAtmospheric temperature rangeOxalateDalton transactions (Cambridge, England : 2003)
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Synthesis, Crystal Structures, and Magnetic Properties of a New Family of Heterometallic Cyanide-Bridged FeIII2MII2 (M = Mn, Ni, and Co) Square Compl…

2011

New heterobimetallic tetranuclear complexes of formula [Fe(III){B(pz)(4)}(CN)(2)(μ-CN)Mn(II)(bpy)(2)](2)(ClO(4))(2)·CH(3)CN (1), [Fe(III){HB(pz)(3)}(CN)(2)(μ-CN)Ni(II)(dmphen)(2)](2)(ClO(4))(2)·2CH(3)OH (2a), [Fe(III){B(pz)(4)}(CN)(2)(μ-CN)Ni(II)(dmphen)(2)](2)(ClO(4))(2)·2CH(3)OH (2b), [Fe(III){HB(pz)(3)}(CN)(2)(μ-CN)Co(II)(dmphen)(2)](2)(ClO(4))(2)·2CH(3)OH (3a), and [Fe(III){B(pz)(4)}(CN)(2)(μ-CN)Co(II)(dmphen)(2)](2)(ClO(4))(2)·2CH(3)OH (3b), [HB(pz)(3)(-) = hydrotris(1-pyrazolyl)borate, B(Pz)(4)(-) = tetrakis(1-pyrazolyl)borate, dmphen = 2,9-dimethyl-1,10-phenanthroline, bpy = 2,2'-bipyridine] have been synthesized and structurally and magnetically characterized. Complexes 1-3b have be…

DenticitySpin statesChemistryStereochemistryLigandMetal ions in aqueous solutionCrystal structureInorganic ChemistryBipyridinechemistry.chemical_compoundCrystallographyPerchlorateAntiferromagnetismPhysical and Theoretical ChemistryInorganic Chemistry
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Modulation of the magnetic anisotropy of octahedral cobalt(ii) single-ion magnets by fine-tuning the axial coordination microenvironment

2019

Two mononuclear cobalt(II) complexes, with the formulas [Co(2,6-dfba)2(bpp)2(H2O)2]n (1) and [Co(2,6-dfba)2(bpe)2(H2O)2]n (2) (2,6-Hdfba = 2,6-difluorobenzoic acid, bpp = 1,3-bis(4-pyridyl)propane, bpe = 1,2-bis(4-pyridyl)ethylene), have been synthesized by combining Co(II) ions with benzoate derivatives and two homogeneous N-donor ligands, respectively. Constrained by the analogous CoN2O4 coordination spheres, the discretely hexa-coordinated Co(II) cores in both complexes display stretched octahedral geometries. The equatorial environments in both complexes are identical, whereas the axial sites are finely modulated by the different chemical natures of the terminal N-donor ligands. The com…

Materials scienceMetal ions in aqueous solutionchemistry.chemical_element02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical scienceslaw.inventionIonInorganic ChemistryCrystallographyMagnetic anisotropychemistryOctahedronlawAb initio quantum chemistry methods0210 nano-technologyElectron paramagnetic resonanceAnisotropyCobaltInorganic Chemistry Frontiers
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Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear CoII–CoIII complexes

2020

Two novel mixed valence CoII–CoIII complexes, namely [CoIICoIII(L1)(ab)(mb)2(H2O)]·dmf (1) and [CoIII2CoII(L2)4(H2O)4]·2H2O (2) [H2L1 = (E)-2-((1-hydroxybutan-2-ylimino)methyl)-6-methoxyphenol, ab = 2-amino-butan-1-ol anion, mb = p-methyl benzoate, H2L2 = 3-((2-hydroxy-3-methoxy-benzylidene)-amino)-propionic acid, and dmf = N,N-dimethyl-formamide], were synthesized and characterized by single crystal X-ray diffraction and magnetic studies at low temperature. The structure determination reveals that both complexes belong to the monoclinic system with P21/c (1) and I2/a (2) space groups. Complex 1 is a dinuclear CoIIICoII compound with distorted octahedral cobalt centers showing different coo…

Inorganic ChemistryCrystallographyMagnetizationMaterials scienceValence (chemistry)OctahedronSpace groupSingle crystalMagnetic susceptibilityMonoclinic crystal systemIonDalton Transactions
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A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.

2013

A unique bistable copper-metallacyclic complex is used as an elegant molecular switch for the reversible formation of emulsions by simple pH variation. This switch may have several exciting applications in biphasic processes such as catalysis and separation science technologies.

Molecular switchBistabilityChemistryMetals and Alloyschemistry.chemical_elementGeneral ChemistryMetallacyclePhotochemistryCopperCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCatalysisEmulsionMaterials ChemistryCeramics and CompositesPh triggeredChemical communications (Cambridge, England)
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Slow Relaxation of the Magnetization in a {Co <sup>III</sup>Mn <sup>III</sup>} Heterometallic Brick-Wall Network

2021

The use of the cyanide-bearing dicobalt(III) complex (PPh 4 ) 2 [Co 2 III (m-2,5-dpp)(CN) 8 ] as a metalloligand towards [Mn(salen)(H 2 O)]ClO 4 afforded the heterobimetallic two-dimensional compound of formula [{Mn III (salen)} 2 {(m-NC) 4 Co 2 III (m-2,5-dpp)(CN) 4 }] n (1) [PPh 4 + = teraphenylphosphonium cation, 2,5-dpp = 2,5-bis(2-pyridyl)pyrazine and H 2 salen = N,N’ -ethylenebis(salicylideneimine)] whose structure has been determined by single crystal X-ray diffraction. Compound 1 exhibits a neutral brick-wall structure, where each [Co 2 III (m-2,5-dpp)(CN) 8 ] 2- unit adopts a tetrakis-monodentate bridging mode towards four {Mn III (salen)} + fragments through four of its eight cyan…

chemistry.chemical_compoundCrystallographyMagnetizationMaterials scienceOctahedronPyrazinechemistryRelaxation (NMR)chemistry.chemical_elementMoleculeManganeseSingle crystalCobaltSSRN Electronic Journal
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Magneto-structural diversity of Co(ii) compounds with 1-benzylimidazole induced by linear pseudohalide coligands

2020

We report the preparation, spectroscopic characterisation, crystal structure determination and cryomagnetic investigation of three cobalt(II) complexes of formula trans-[Co(bim)4(NCS)2] (1), [Co(bim)2(NCO)2] (2) and [Co(bim)2(N3)2]n (3) (bim = 1-benzylimidazole). The structure of 1 is made up of neutral [Co(bim)4(NCS)2] mononuclear units, where the cobalt(II) ion is six-coordinate with four monodentate bim ligands in equatorial positions and two N-thiocyanato groups in the axial sites building a slightly compressed octahedron. In contrast to 1, each cobalt(II) ion in 2 is four-coordinate with two imidazole-nitrogen atoms from two bim molecules and two N-cyanato ligands describing a slightly…

Materials sciencechemistry.chemical_elementTetrahedral molecular geometryCrystal structureMagnetic susceptibilitylaw.inventionInorganic ChemistryBond lengthCrystallographychemistryOctahedronlawMoleculeElectron paramagnetic resonanceCobaltInorganic Chemistry Frontiers
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Synthesis, structural characterization and electrochemical and magnetic studies of M(hfac)2 (M = CuII, CoII) and Nd(hfac)3 complexes of 4-amino-TEMPO

2020

Three mononuclear complexes [M(hfac)x(ATEMPO)y], where M = Cu (11) and Co (12), x = y = 2; M = Nd (13), x = 4, y = 1, and two polynuclear complexes [{Cu(hfac)2(ATEMPO)}n], where n = 2 (14) and 4 (15), were obtained by the reaction of M(hfac)x (M = CuII, CoII, NdIII; x = 2, 3) with 4-amino-TEMPO (4-amino-2,2,6,6-tetramethylpiperidin-N-oxyl) in good yields and their structural, electrochemical and magnetic properties were examined. In all cases, the radical is coordinated to the metal through the amino group, except 15, and the metal ions have an octahedral geometry, except 13. Different coordination architectures of the copper complexes were obtained as a function of the stoichiometry and so…

LanthanideChemistryMetal ions in aqueous solutionRadicalSupramolecular chemistrychemistry.chemical_elementNitroxylCopperInorganic ChemistryMetalCrystallographychemistry.chemical_compoundvisual_artOctahedral molecular geometryvisual_art.visual_art_mediumDalton Transactions
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Mononuclear and polynuclear complexes ligated by an iminodiacetic acid derivative: synthesis, structure, solution studies and magnetic properties

2016

Two novel families of coordination polymers, [Ln(bzlida)(Hbzlida)]·H2O (Ln = La, Nd) and [Ln2(bzlida)3]·3H2O (Ln = Nd, Sm, Eu, Gd) were prepared by hydrothermal reaction of Ln2O3 with benzyliminodiacetic acid (H2bzlida). The conditions of synthesis, in particular the pH value, were selected on the basis of previous speciation studies reported in this work. The first type of complex consists of 1D chains built by a fully deprotonated ligand bridging two lanthanide ions and protonated Hbzlida(-) ligands connecting three cations. The second type is formed by [Ln2(bzlida)3] bimetallic units in which the ligand has a tridentate NOO coordination mode. This is expanded to a 2D network through carb…

Lanthanide010405 organic chemistryIminodiacetic acidStereochemistryLigandProtonation010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographyMonomerDeprotonationchemistryCarboxylateBimetallic stripDalton Transactions
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S-shaped decanuclear heterometallic [Ni8Ln2] complexes [Ln(iii) = Gd, Tb, Dy and Ho]: theoretical modeling of the magnetic properties of the gadolini…

2014

The reaction of 8-quinolinol-2-carboaldoxime (LH2) with Ni(II) and Ln(III) salts afforded the heterometallic decanuclear compounds [Ni8Dy2(μ3-OH)2(L)8(LH)2(H2O)6](ClO4)2·16H2O (1), [Ni8Gd2(μ3-OH)2(L)8(LH)2(H2O)4(MeOH)2](NO3)2·12H2O (2), [Ni8Ho2(μ3-OH)2(L)8(LH)2(H2O)4(MeOH)2](ClO4)2·2MeOH·12H2O (3) and [Ni8Tb2 (μ3-OH)2(L)8(LH)2(MeOH)4(OMe)2]·2CH2Cl2·8H2O (4). While compounds 1-3 are dicationic, compound 4 is neutral. These compounds possess an S-shaped architecture and comprise a long chain of metal ions bound to each other. In all the complexes, the eight Ni(II) and two Ln(III) ions of the multimetallic ensemble are hold together by two μ3-OH, eight dianionic (L(2-)) and two monoanionic oxi…

StereochemistryGadoliniumMetal ions in aqueous solutionchemistry.chemical_elementOximeIonInorganic Chemistrychemistry.chemical_compoundMolecular wireCrystallographychemistryFerromagnetismAntiferromagnetismDerivative (chemistry)Dalton Trans.
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Long-distance magnetic coupling in dinuclear copper(II) complexes with oligo-para-phenylenediamine bridging ligands

2010

Abstract Two novel dinuclear copper(II) complexes of formulae [Cu2(tren)2(bpda)](ClO4)4 (2) and [Cu2(tren)2(tpda)](ClO4)4 (3) containing the tripodal tris(2-aminoethyl)amine (tren) terminal ligand and the 4,4′-biphenylenediamine (bpda) and 4,4″-p-terphenylenediamine (tpda) bridging ligands have been synthesized and structurally, spectroscopically, and magnetically characterized. Their experimentally available electronic spectroscopic and magnetic properties have been reasonably reproduced by DFT and TDDFT calculations. Single crystal X-ray diffraction analysis of 2 shows the presence of dicopper(II) cations where the bpda bridging ligand adopts a bismonodentate coordination mode toward two …

StereochemistryLigandBridging ligandBiphenyleneBPDAMagnetic susceptibilityInorganic Chemistrychemistry.chemical_compoundCrystallographyTrigonal bipyramidal molecular geometryUnpaired electronchemistryPhenyleneMaterials ChemistryPhysical and Theoretical ChemistryInorganica Chimica Acta
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Do the Intramolecular π Interactions Improve the Stability of Ionic, Pyridine-Carbene-Based Iridium(III) Complexes?

2013

Throughout the last years one of the most intensive research topics in light-emitting electrochemical cells (LECs) focused on the design of blue-emitting, ionic iridium(III) complexes. To this end, the most recent strategy is the use of carbene-based ancillary ligands. Although blue LECs have been successfully fabricated, the stability has been noted as the main drawback. To overcome this problem, Zhang et al. have recently explored the use of π interactions to enhance the strength of pyridine-carbene-based complexes. The authors suggested that the use of intramolecular π–π stacking interactions by means of pendant phenyl rings to improve the stability of LECs is not as effective as in devi…

ChemistryLigandStackingchemistry.chemical_elementIonic bondingPhotochemistrySurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundGeneral EnergyIntramolecular forcePolymer chemistryPyridineIridiumPhysical and Theoretical ChemistryCarbeneDiimineThe Journal of Physical Chemistry C
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Ligand design for multidimensional magnetic materials: a metallosupramolecular perspective.

2008

The aim and scope of this review is to show the general validity of the ‘complex-as-ligand’ approach for the rational design of metallosupramolecular assemblies of increasing structural and magnetic complexity. This is illustrated herein on the basis of our recent studies on oxamato complexes with transition metal ions looking for the limits of the research avenue opened by Kahn's pioneering research twenty years ago. The use as building blocks of mono-, di- and trinuclear metal complexes with a novel family of aromatic polyoxamato ligands allowed us to move further in the coordination chemistry-based approach to high-nuclearity coordination compounds and high-dimensionality coordination po…

chemistry.chemical_classificationModels MolecularMolecular StructureChemistryMagnetismLigandMacromolecular SubstancesRational designMolecular electronicsNanotechnologyBridging ligandCrystallography X-RayLigandsCoordination complexInorganic ChemistryMagneticsMetals HeavyOrganometallic CompoundsMoleculeElectron configurationDalton transactions (Cambridge, England : 2003)
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A carboxylate-bridged NiII8 cluster with a distorted cubane topology: structure, magnetism and density functional studies

2016

Using a dicarboxylate ligand appended with (2-pyridyl)ethylamine unit, a new cluster [NiII8(L4)6(DMF)2(CH3OH)2(H2O)6][ClO4]4·2CH3OH·2CH3CO2C2H5 (1) [L4(2−): 3-[N-{2-(pyridin-2-yl)ethyl}amino]-bis(propionate)] has been synthesized, through ‘coordination-driven self-assembly’. The crystal structure of 1 reveals a centrosymmetric octanuclear carboxylate-bridged nickel(II) tetracation, with a distorted cubane topology. The four crystallographically independent nickel(II) centres differ markedly in their coordination environment. Magnetic studies (2–300 K) reveal that in 1 the net magnetic-exchange is antiferromagnetic. Based on geometric parameters associated with two interacting nickel(II) cen…

010405 organic chemistryMagnetismchemistry.chemical_elementCrystal structure010402 general chemistryTopology01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographyMonatomic ionNickelchemistryFerromagnetismCubaneAntiferromagnetismCarboxylateDalton Transactions
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A Hydrogen-Bonded Supramolecular meso-Helix

2003

[EN] A new one-dimensional hydrogen-bonded polymer with a unique meso-helical structure has been prepared from the spontaneous self-assembly in the solid-state of meta-substituted phenylene dioxamic acid diethyl ester monomers. The helical nature of this molecule and its self-complementary character, through intermolecular hydrogen bonding between oxamic acid ester functions, are the two main factors responsible for the crystalline aggregation process, as confirmed by both experimental X-ray crystallographic data and theoretical ab initio calculations.

StereochemistryHydrogen bondOrganic ChemistrySupramolecular chemistryCrystal engineeringCrystal engineeringAmidesHydrogen bondschemistry.chemical_compoundCrystallographyDensity functional calculationsMonomerchemistryAb initio quantum chemistry methodsPhenyleneFISICA APLICADAHelixMoleculePhysical and Theoretical ChemistryHelical structures
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Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers

2016

Materials that demonstrate long-range magnetic order are synonymous with information storage and the electronics industry, with the phenomenon commonly associated with metals, metal alloys or metal oxides and sulfides. A lesser known family of magnetically ordered complexes are the monometallic compounds of highly anisotropic d-block transition metals; the ‘transformation' from isolated zero-dimensional molecule to ordered, spin-canted, three-dimensional lattice being the result of through-space interactions arising from the combination of large magnetic anisotropy and spin-delocalization from metal to ligand which induces important intermolecular contacts. Here we report the effect of pres…

ScienceQCondensed Matter::Strongly Correlated ElectronsQDequipment and suppliesArticle
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Self-assembly and magnetic properties of a double-propeller octanuclear copper(II) complex with a meso-helicate-type metallacryptand core.

2004

An octanuclear copper(II) complex possessing a dimer-of-tetramers structure self-assembles from a binuclear oxamatocopper(II) metallacryptand of the meso-helicate type; its magnetic behaviour is consistent with its unique double-propeller molecular topology. Pardo Marín, Emilio José, Emilio.Pardo@uv.es ; Julve Olcina, Miguel, Miguel.Julve@uv.es ; Lloret Pastor, Francisco, Francisco.Lloret@uv.es ; Ruiz Garcia, Rafael, Rafael.Ruiz@uv.es

Materials scienceMolecular topologyOctanuclear copperMagnetic properties ; Metallacryptand core ; Octanuclear copper ; Molecular topologyUNESCO::QUÍMICAMetals and AlloysPropeller:QUÍMICA::Química física [UNESCO]chemistry.chemical_elementNanotechnologyGeneral ChemistryCopper:QUÍMICA [UNESCO]CatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographychemistryMetallacryptand coreMagnetic propertiesMaterials ChemistryCeramics and CompositesUNESCO::QUÍMICA::Química físicaSelf-assemblyMolecular topologyChemical communications (Cambridge, England)
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A rare isostructural series of 3d–4f cyanido-bridged heterometallic squares obtained by assembling [FeIII{HB(pz)3}(CN)3]− and LnIII ions: synthesis, …

2021

A new series of cyanido-bridged {FeIIILnIII}2 neutral molecular squares of general formula [Fe{HB(pz)3}(CN)(μ-CN)2Ln(NO3)2(pyim)(Ph3PO)]2·2CH3CN [Ln = Ce (1), Pr (2), Nd (3), Gd (4), Tb (5), Dy (6) and Er (7); {HB(pz)3}− = hydrotris(pyrazolyl)borate, pyim = 2-(1H-imidazol-2-yl)pyridine and Ph3PO = triphenylphosphine oxide] were obtained by reacting the low-spin [Fe{HB(pz)3}(CN)3]− species with the preformed [LnIII(pyim)(NO3)2(pyim)(Ph3PO)]+ complex anions (generated in situ by mixing the nitrate salt of each Ln(III) ion with pyim and Ph3PO molecules). Single-crystal X-ray diffraction studies show that 1–7 are isostructural compounds that crystallize in the triclinic P space group. Their cry…

Inorganic ChemistryLanthanideLigand field theoryCrystallographyMaterials scienceOctahedronSupramolecular chemistryMoleculeCrystal structureIsostructuralMagnetic susceptibilityDalton Transactions
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Holmium(III) Single-Ion Magnet for Cryomagnetic Refrigeration Based on an MRI Contrast Agent Derivative

2021

The coexistence of field-induced blockage of the magnetization and significant magnetocaloric effects in the low-temperature region occurs in a mononuclear holmium(III) diethylenetriamine-N,N,N′,N″,N″-pentaacetate complex, whose gadolinium(III) analogue is a commercial MRI contrast agent. Both properties make it a suitable candidate for cryogenic magnetic refrigeration, thus enlarging the variety of applications of this simple class of multifunctional molecular nanomagnets.

MRI contrast agentGadoliniumCommunicationMagnetic PhenomenaRefrigerationchemistry.chemical_elementPentetic AcidInorganic ChemistryCold TemperatureMagnetizationchemistry.chemical_compoundHolmiumNuclear magnetic resonancechemistryCoordination ComplexesRefrigerationMagnetMagnetic refrigerationMagnetsPhysical and Theoretical ChemistryHolmiumDerivative (chemistry)Inorganic Chemistry
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A Metallacryptand-Based Manganese(II)–Cobalt(II) Ferrimagnet with a Three-Dimensional Honeycomb Open-Framework Architecture

2008

Materials scienceMolecular magnetsMetallurgychemistry.chemical_elementHoneycomb (geometry)General MedicineGeneral ChemistryManganeseOpen frameworkCatalysischemistryChemical engineeringFerrimagnetismLithiumCobaltAngewandte Chemie International Edition
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High-valent bis(oxo)-bridged dinuclear manganese oxamates: Synthesis, crystal structures, magnetic properties, and electronic structure calculations …

2007

[EN] Two novel bis(oxo)-bridged dinuclear manganese(IV) complexes with the binucleating ligand o-phenylenebis(oxamate) (opba), formulated as (Me4N)(4)[Mn2O2(opba)(2)] (1a) and (Me4N)(2)(Ph4P)(2)[Mn2O2(opba)(2)] (.) 8H(2)O (1b), have been synthesized and characterized structurally and magnetically. Like the parent complex (Ph4P)(4)[Mn2O2(opba)(2)] (.) 4H(2)O (1c), they possess unique Mn-2(mu-O)(2) bridging cores with two additional o-phenylenediamidate bridges which lead to exceptionally short Mn-Mn distances (2.63-2.67 angstrom) and fairly bent Mn-O-Mn angles (93.8-95.5 degrees). Complexes 1a-c show a moderate to strong antiferromagnetic coupling between the two high-spin Mn-IV ions through…

ManganeseStereochemistryIntermetallicchemistry.chemical_elementManganeseElectronic structureCrystal structureAmidesInductive couplingAntiferromagnetic couplingPhotosystem IIIonInorganic ChemistryCrystallographyCarboxylateschemistrySuperexchangeFISICA APLICADADensity functional theory calculationsMagnetic propertiesMaterials ChemistryPhysical and Theoretical ChemistryInorganica Chimica Acta
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Magneto-structural versatility of copper(II)-3-phenylpropionate coordination polymers with N-donor coligands.

2015

A novel series of copper(II) coordination polymers [Cu2(O2CC8H9)4(pyz)]n (1), [Cu2(O2CC8H9)4(dps)]n (2), {[Cu(O2CC8H9)2(dps)(H2O)]·H2O}n (3), {[NaCu(O2CC8H9)2(bpm)(NO3)]·H2O}n (4), and [Cu4(O2CC8H9)6(OH)2(bpp)2]n (5) [O2CC8H9− = 3-phenylpropionate anion, pyz = pyrazine, dps = di(4-pyridyl)sulfide, bpm = 2,2′-bipyrimidine, and bpp = 1,3-bis(4-pyridyl)propane] have been synthesized and magneto-structurally investigated. Compounds 1 and 2 belong to a large group of copper(II) carboxylates where bis-monodentate pyz (1) and dps (2) ligands connect the paddle-wheel [CuII2(μ-O2CC8H9)4] units leading to alternating copper(II) chains. The structure of 3 consists of uniform chains of trans-[CuII(O2CC…

chemistry.chemical_classificationPyrazine010405 organic chemistryLigandStereochemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesCopper0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryFerromagnetismAntiferromagnetismNon-covalent interactionsCarboxylateDalton transactions (Cambridge, England : 2003)
researchProduct

A Study of the Lack of Slow Magnetic Relaxation in Mononuclear Trigonal Bipyramidal Cobalt(II) Complexes

2021

Trigonal bipyramidal molecular geometryCrystallographyMaterials sciencechemistrylawchemistry.chemical_elementMagnetic relaxationGeneral ChemistryCrystal structureElectron paramagnetic resonanceCobaltlaw.inventionChemistrySelect
researchProduct

Molecular and electronic structure of square-planar nickel(ii), nickel(iii) and nickel(iii)π-cation radical complexes with a tetradentate o-phenylene…

2005

The molecular and electronic structures of the electron transfer series of four-coordinate square-planar nickel complexes with the ligand o-phenylenebis(N'-methyloxamidate), [NiL]z (z = 2-, 1-, 0), have been evaluated by DFT and TDDFT calculations, and most of their experimentally available structural and spectroscopic properties (X. Ottenwaelder et al., Dalton Trans., 2005, DOI: 10.1039/b502478a) have been reasonably reproduced at the B3LYP level of theory. The anionic species [NiL]2- and [NiL]- are genuine low-spin nickel II and nickel III complexes with diamagnetic singlet (S = 0) and paramagnetic doublet (S = 1/2) states, respectively. The nickel III complex presents shorter Ni-N(amidat…

OxalatesFree RadicalsMolecular StructureLigandchemistry.chemical_elementElectronsPhenylenediaminesLigandsPhotochemistryInorganic ChemistryParamagnetismElectron transferCrystallographyNickelModels ChemicalchemistryNickelCovalent bondCationsExcited stateOrganometallic CompoundsQuantum TheorySinglet stateGround stateOxidation-ReductionDalton Transactions
researchProduct

Theoretical design of magnetic wires from acene and nanocorone derivatives

2016

Theoretical calculations on a series of molecular models based on amino derivatives of linear and cycled acenes acting as organic linkers between two copper(ii) ions have shown a wire-like magnetic behaviour, so that the intermetallic magnetic communication does not vanish when the linker becomes larger due to its polyradical nature. Hence, these models can be considered as molecular magnetic wires, which can be used as active components for molecular spintronics, where the information transport is based on spin carriers instead of the more conventional charge transport. The nature of the spin ground state along these two series of models is governed by the topology of the organic linker, i…

SpintronicsCondensed matter physicsSpin polarization010405 organic chemistryChemistrySpin engineering010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundGround stateAceneTopology (chemistry)Spin-½Electronic circuitDalton Transactions
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CCDC 995944: Experimental Crystal Structure Determination

2015

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088

Space GroupCrystallographyCrystal System(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-bis(mu-cyano)-bis(110-phenanthroline)-tetra-aqua-hexacyano-copper-di-iron-terbium nitrate heptahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891588: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
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CCDC 995946: Experimental Crystal Structure Determination

2015

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088

Space GroupCrystallography(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-nitrato-tetra-aqua-copper-lanthanum (110-phenanthroline)-tetracyano-iron nitrate acetonitrile solvate monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1029762: Experimental Crystal Structure Determination

2015

Related Article: José Martínez-Lillo, Joan Cano, Wolfgang Wernsdorfer, Euan K. Brechin|2015|Chem.-Eur.J.|21|8790|doi:10.1002/chem.201500439

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(mu-2-(N'-oxidocarbamimidoyl)phenolato)-bis(mu-oxido)-diaqua-hexakis(pyridine)-hexa-manganese hexachloro-rhenium benzene acetonitrile solvate tetrahydrateExperimental 3D Coordinates
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CCDC 1536659: Experimental Crystal Structure Determination

2020

Related Article: Aparup Paul, Marta Viciano-Chumillas, Horst Puschmann, Joan Cano, Subal Chandra Manna|2020|Dalton Trans.|49|9516|doi:10.1039/D0DT00588F

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(mu-N-[(2-oxy-3-methoxyphenyl)methylidene]-beta-alaninato)-bis(N-[(2-oxy-3-methoxyphenyl)methylidene]-beta-alaninato)-tetra-aqua-tri-cobalt dihydrate
researchProduct

CCDC 1020482: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu-33'-(14-phenylene)bisacrylato)-bis(mu-44'-ethane-12-diyldipyridine)-di-cobalt monohydrate]Experimental 3D Coordinates
researchProduct

CCDC 1914220: Experimental Crystal Structure Determination

2019

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benzoato-bis(66'-dimethyl-22'-bipyridine)-cobalt(ii) perchlorateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1451174: Experimental Crystal Structure Determination

2017

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catena-[tris(mu-NN'-bis((S)-2-propanoato)oxamide)-(mu-aqua)-bis(mu-hydroxy)-calcium(ii)-hexa-copper(ii) hydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898878: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal Structure(46-bis(diphenylphosphino)-10H-phenoxazine)-bromo-(NN-dimethylformamide)-copper(i)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1897433: Experimental Crystal Structure Determination

2019

Related Article: José M. Carbonell-Vilar, Elisa Fresta, Donatella Armentano, Rubén D. Costa, Marta Viciano-Chumillas, Joan Cano|2019|Dalton Trans.|48|9765|doi:10.1039/C9DT00772E

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(44'-dimethoxy-22'-bipyridine)-((99-dimethyl-9H-xanthene-45-diyl)bis(diphenylphosphane))-silver tetrafluoroborate dichloromethane solvateExperimental 3D Coordinates
researchProduct

CCDC 1432054: Experimental Crystal Structure Determination

2016

Related Article: Thais Grancha, Jesús Ferrando-Soria, Joan Cano, Pedro Amoros , Beatriz Seoane, Jorge Gascon, Montse Bazaga-García, Enrique R. Losilla, Aurelio Cabeza, Donatella Armentano, Emilio Pardo|2016|Chem.Mater.|28|4608|doi:10.1021/acs.chemmater.6b01286

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatescatena-(tris(mu-22'-((12-dihydroxyethane-12-diylidene)diazanylylidene)dipropanoato)-tris(mu-hydroxo)-calcium-hexa-copper dotriacontahydrate)
researchProduct

CCDC 995943: Experimental Crystal Structure Determination

2015

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088

Space GroupCrystallographyCrystal SystemCrystal Structure(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-bis(mu-cyano)-bis(110-phenanthroline)-tetra-aqua-hexacyano-copper-di-iron-gadolinium nitrate heptahydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 966620: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(acetonitrile)-tetrachloro-rhenium acetonitrile solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1453404: Experimental Crystal Structure Determination

2017

Related Article: Christopher H. Woodall, Alessandro Prescimone, Martin Misek, Joan Cano, Juan Faus, Micheal Probert, Mark Murrie, Simon Parsons, Stephen Moggach, Jose Martinez-Lillo, Konstantin Kamenev, Euan K. Brechin|2016|Nat.Commun.|7|13870|doi:10.1038/ncomms13870

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1969476: Experimental Crystal Structure Determination

2021

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Beatrice Cula, Sergiu Shova, Renato Rabelo, Nicolás Moliner, Francesc Lloret, Joan Cano, Miguel Julve|2021|Dalton Trans.|50|14640|doi:10.1039/D1DT02512K

Space GroupCrystallographytetrakis(mu-cyano)-dicyano-bis(hydrogen tripyrazolylborate)-bis(2-(2-pyridyl)imidazole)-tetrakis(nitrato)-bis(triphenylphosphine oxide)-di-dysprosium-di-iron acetonitrile solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1878502: Experimental Crystal Structure Determination

2019

Related Article: Yuewei Wu, Danian Tian, Jesús Ferrando-Soria, Joan Cano, Lei Yin, Zhongwen Ouyang, Zhenxing Wang, Shuchang Luo, Xiangyu Liu, Emilio Pardo|2019|Inorg.Chem.Front.|6|848|doi:10.1039/C8QI01373J

Space GroupCrystallographyCrystal Systemdiaqua-bis(26-difluorobenzoato)-bis{4-[2-(pyridin-4-yl)ethenyl]pyridine}-cobaltCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415919: Experimental Crystal Structure Determination

2016

Related Article: Julia Vallejo, Francisco R. Fortea-Pérez, Emilio Pardo, Samia Benmansour, Isabel Castro, J. Krzystek, Donatella Armentano, Joan Cano|2016|Chemical Science|7|2286|doi:10.1039/C5SC04461H

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-tetrakis(isothiocyanato)-di-cobalt(ii) toluene solvate]Experimental 3D Coordinates
researchProduct

CCDC 1453400: Experimental Crystal Structure Determination

2017

Related Article: Christopher H. Woodall, Alessandro Prescimone, Martin Misek, Joan Cano, Juan Faus, Micheal Probert, Mark Murrie, Simon Parsons, Stephen Moggach, Jose Martinez-Lillo, Konstantin Kamenev, Euan K. Brechin|2016|Nat.Commun.|7|13870|doi:10.1038/ncomms13870

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 2096753: Experimental Crystal Structure Determination

2021

Related Article: Juan-Ram��n Jim��nez, Buqing Xu, Hasnaa El Said, Yanling Li, Jurgen von Bardeleben, Lise-Marie Chamoreau, Rodrigue Lescou��zec, Sergiu Shova, Diana Visinescu, Maria-Gabriela Alexandru, Joan Cano, Miguel Julve|2021|Dalton Trans.|50|16353|doi:10.1039/D1DT02441H

bis[bis(1-methyl-1H-imidazol-2-yl)methanone]-bis(isoselenocyanato)-cobaltSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898457: Experimental Crystal Structure Determination

2020

Related Article: Ludmila dos S. Mariano, Iara M. L. Rosa, Nathália R. De Campos, Antônio C. Doriguetto, Danielle F. Dias, Walace D. do Pim, Ana Karoline S.M. Valdo, Felipe T. Martins, Marcos A. Ribeiro, Elgte E. B. De Paula, Emerson F. Pedroso, Humberto O. Stumpf, Joan Cano, Francesc Lloret, Miguel Julve, Maria Vanda Marinho|2020|Cryst.Growth Des.|20|2462|doi:10.1021/acs.cgd.9b01638

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[tris(mu-22'-(13-phenylenediazanediyl)bis(oxoacetato))-diaqua-bis(NN-dimethylformamide)-di-nickel-di-potassium dihydrate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1867830: Experimental Crystal Structure Determination

2019

Related Article: Anna Świtlicka, Joanna Palion-Gazda, Barbara Machura, Joan Cano, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|1404|doi:10.1039/C8DT03965H

tetrakis(1-benzyl-1H-imidazole)-bis[(iminomethylidene)propanedinitrilato]-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898455: Experimental Crystal Structure Determination

2020

Related Article: Ludmila dos S. Mariano, Iara M. L. Rosa, Nathália R. De Campos, Antônio C. Doriguetto, Danielle F. Dias, Walace D. do Pim, Ana Karoline S.M. Valdo, Felipe T. Martins, Marcos A. Ribeiro, Elgte E. B. De Paula, Emerson F. Pedroso, Humberto O. Stumpf, Joan Cano, Francesc Lloret, Miguel Julve, Maria Vanda Marinho|2020|Cryst.Growth Des.|20|2462|doi:10.1021/acs.cgd.9b01638

Space GroupCrystallographybis(tetra(pyridin-2-yl)pyrazine)-cobalt tris(mu-22'-(13-phenylenediazanediyl)bis(oxoacetato))-di-cobalt nonahydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1510396: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu- pyrazine-25-dicarboxylato)-tetra-aqua-di-praseodymium(iii) hexahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1891577: Experimental Crystal Structure Determination

2019

Related Article: Marta Mon, Rosaria Bruno, Estefanía Tiburcio, Aida Grau-Atienza, Antonio Sepúlveda-Escribano, Enrique V. Ramos-Fernandez, Alessio Fuoco, Elisa Esposito, Marcello Monteleone, Johannes C. Jansen, Joan Cano, Jesús Ferrando-Soria, Donatella Armentano, Emilio Pardo|2019|Chem.Mater.|31|5856|doi:10.1021/acs.chemmater.9b01995

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 995947: Experimental Crystal Structure Determination

2015

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-tris(mu-cyano)-(110-phenanthroline)-dinitrato-aqua-cyano-iron-nickel-gadolinium acetonitrile solvate monohydrate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1400954: Experimental Crystal Structure Determination

2016

Related Article: Roberto Puentes, Julia Torres, Carlos Kremer, Joan Cano, Francesc Lloret, Davide Capucci, Alessia Bacchi|2016|Dalton Trans.|45|5356|doi:10.1039/C5DT05060J

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(tris(mu3-22'-(Benzylimino)diacetato)-triaqua-di-gadolinium)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1484384: Experimental Crystal Structure Determination

2018

Related Article: Lucas H. G. Kalinke, Jocielle C. O. Cardoso, Renato Rabelo, Ana K. Valdo, Felipe T. Martins, Joan Cano, Miguel Julve, Francesc Lloret, Danielle Cangussu|2018|Eur.J.Inorg.Chem.||816|doi:10.1002/ejic.201701177

bis((577121414-hexamethyl-14811-tetraazacyclotetradeca-411-diene)-nickel(ii)) tetrakis(isothiocyanato)-cobalt(ii) bis(hexafluorophosphate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1867829: Experimental Crystal Structure Determination

2019

Related Article: Anna Świtlicka, Joanna Palion-Gazda, Barbara Machura, Joan Cano, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|1404|doi:10.1039/C8DT03965H

tetrakis(1-benzyl-2-methyl-1H-imidazole)-bis[(iminomethylidene)propanedinitrilato]-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CSD 1913668: Experimental Crystal Structure Determination

2020

Related Article: Nadiia I. Gumerova, Alexander Roller, Gerald Giester, J. Krzystek, Joan Cano, Annette Rompel|2020|J.Am.Chem.Soc.|142|3336|doi:10.1021/jacs.9b12797

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 951253: Experimental Crystal Structure Determination

2014

Related Article: Wdeson P. Barros, Beatriz C. da Silva, Natália V. Reis, Cynthia L. M. Pereira, Antônio C. Doriguetto, Joan Cano, Kleber R. Pirota, Emerson F. Pedroso, Miguel Julve, Humberto O. Stumpf|2014|Dalton Trans.|43|14586|doi:10.1039/C4DT01180E

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(tetra-n-butylammonium) bis(mu-45-dichloro-12-phenylenebis(oxamato))-tetrakis(dimethyl sulfoxide)-tri-copper(ii)Experimental 3D Coordinates
researchProduct

CCDC 1415917: Experimental Crystal Structure Determination

2016

Related Article: Julia Vallejo, Francisco R. Fortea-Pérez, Emilio Pardo, Samia Benmansour, Isabel Castro, J. Krzystek, Donatella Armentano, Joan Cano|2016|Chemical Science|7|2286|doi:10.1039/C5SC04461H

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu2-44'-(14-phenylenediethyne-21-diyl)dipyridine)-bis(isothiocyanato)-cobalt(ii) thianthrene methanol solvate]Experimental 3D Coordinates
researchProduct

CCDC 1989325: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(pyridine-26-diyl)-bis[N-(4-methoxyphenyl)methanimine]-cobalt(ii) diperchlorate
researchProduct

CCDC 1969477: Experimental Crystal Structure Determination

2021

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Beatrice Cula, Sergiu Shova, Renato Rabelo, Nicolás Moliner, Francesc Lloret, Joan Cano, Miguel Julve|2021|Dalton Trans.|50|14640|doi:10.1039/D1DT02512K

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu-cyano)-dicyano-bis(hydrogen tripyrazolylborate)-bis(2-(2-pyridyl)imidazole)-tetrakis(nitrato)-bis(triphenylphosphine oxide)-di-erbium-di-iron acetonitrile solvateExperimental 3D Coordinates
researchProduct

CCDC 919043: Experimental Crystal Structure Determination

2013

Related Article: María Castellano, Wdeson P. Barros, Alvaro Acosta, Miguel Julve, Francesc Lloret, Yanling Li, Yves Journaux, Giovanni De Munno, Donatella Armentano, Rafael Ruiz-García, Joan Cano|2014|Chem.-Eur.J.|20|13965|doi:10.1002/chem.201403987

Tetra-n-butylammonium bis(mu~2~-22'-((910-dioxo-910-dihydroanthracene-14-diyl)diimino)bis(oxoacetato))-di-copper(ii) acetonitrile diethyl ether solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2046943: Experimental Crystal Structure Determination

2021

Related Article: Richa, Muni Rathnam, Akhilesh Kumar, Indresh Verma, Julia Kłak, Joan Cano, Antonio J. Mota, Amit Rajput, Himanshu Arora|2021|New J.Chem.|45|6053|doi:10.1039/D1NJ00228G

Space GroupCrystallographyCrystal SystemCrystal Structurebis(mu-acetato)-bis(mu-azido)-bis(mu-2-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenolato)-diazido-tri-cobalt diethyl ether solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 995948: Experimental Crystal Structure Determination

2015

Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088

catena-[(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-tris(cyano)-(110-phenanthroline)-dinitrato-aqua-cyano-iron-nickel-terbium acetonitrile solvate monohydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 923163: Experimental Crystal Structure Determination

2013

Related Article: Maria V. Marinho, Tatiana R. G. Simões, Marcos A. Ribeiro, Cynthia L. M. Pereira, Flávia C. Machado, Carlos B. Pinheiro, Humberto O. Stumpf, Joan Cano, Francesc Lloret, and Miguel Julve|2013|Inorg.Chem.|52|8812|doi:10.1021/ic401038c

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(tetra-n-butylammonium) bis(mu~3~-(carboxylatocarbonyl)(2-([carboxylato(oxidanidyl)methylidene]amino)phenyl)amido)-(mu~2~-oxalato)-di-copper-di-manganese]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891583: Experimental Crystal Structure Determination

2019

Related Article: Marta Mon, Rosaria Bruno, Estefanía Tiburcio, Aida Grau-Atienza, Antonio Sepúlveda-Escribano, Enrique V. Ramos-Fernandez, Alessio Fuoco, Elisa Esposito, Marcello Monteleone, Johannes C. Jansen, Joan Cano, Jesús Ferrando-Soria, Donatella Armentano, Emilio Pardo|2019|Chem.Mater.|31|5856|doi:10.1021/acs.chemmater.9b01995

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1977640: Experimental Crystal Structure Determination

2020

Related Article: Aparup Paul, Marta Viciano-Chumillas, Horst Puschmann, Joan Cano, Subal Chandra Manna|2020|Dalton Trans.|49|9516|doi:10.1039/D0DT00588F

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters{mu-2-aminobutan-1-olato}-{mu-[2-({[1-oxybutan-2-yl]imino}methyl)-6-methoxyphenolato]}-[mu-4-methylbenzoato]-aqua-(4-methylbenzoato)-di-cobalt NN-dimethylformamide solvateExperimental 3D Coordinates
researchProduct

CCDC 1524200: Experimental Crystal Structure Determination

2018

Related Article: Francisco R. Fortea-Pérez, Julia Vallejo, Jorge Pasán, Catalina Ruiz-Pérez, Joan Cano, Francesc Lloret, Miguel Julve|2018|Comptes Rendus Chimie|22|452|doi:10.1016/j.crci.2018.10.007

bis(mu-oxalato)-bis(2-(1H-imidazol-2-yl)pyridine)-bis(oxalato)-diaqua-di-chromium-cobalt hydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1978264: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu-4-amino-2266-tetramethylpiperidine N-oxido)-octakis(111555-hexafluoroacetylacetonato)-tetra-copper(ii)Experimental 3D Coordinates
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CCDC 1557653: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal Systembis(tetrabutylammonium) decachloro-(mu-pyrazine)-di-rheniumCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1898877: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters((99-dimethyl-9H-xanthene-45-diyl)bis(di-t-butylphosphine))-silver perchlorateExperimental 3D Coordinates
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CCDC 1969470: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu-cyano)-dicyano-bis(hydrogen tripyrazolylborate)-bis(2-(2-pyridyl)imidazole)-tetrakis(nitrato)-bis(triphenylphosphine oxide)-di-cerium-di-iron acetonitrile solvateExperimental 3D Coordinates
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CCDC 2046942: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-acetato)-bis(mu-azido)-tetrakis(mu-2-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenolato)-bis(acetato)-penta-nickel acetonitrile solvateExperimental 3D Coordinates
researchProduct

CCDC 1474778: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal Systembis(cytosine)-bis(cyanato)-cobalt(ii)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986609: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(mu~4~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-hydroxo)-bis(2-[(hydroxyimino)methyl]quinolin-8-olate)-hexa-aqua-di-dysprosium-octa-nickel diperchlorate hexadecahydrateExperimental 3D Coordinates
researchProduct

CCDC 2096752: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis[bis(1-methyl-1H-imidazol-2-yl)methanone]-bis(isothiocyanato)-cobaltExperimental 3D Coordinates
researchProduct

CCDC 1969471: Experimental Crystal Structure Determination

2021

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tetrakis(mu-cyano)-dicyano-bis(hydrogen tripyrazolylborate)-bis(2-(2-pyridyl)imidazole)-tetrakis(nitrato)-bis(triphenylphosphine oxide)-di-iron-di-neodymium acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1432272: Experimental Crystal Structure Determination

2016

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tetrakis(1-Benzyl-1H-imidazole)-bis(dicyanamide)-cobalt(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1039720: Experimental Crystal Structure Determination

2015

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bis(22'-bipyrimidine)-(oxalato)-nickel(ii) dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1453401: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 995949: Experimental Crystal Structure Determination

2015

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catena-[(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-tris(mu-cyano)-(22'-bipyridine)-dinitrato-aqua-cyano-iron-nickel-dysprosium acetonitrile monohydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1945945: Experimental Crystal Structure Determination

2019

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pentakis(bis(ethylenedithio)tetrathiafulvalene radical) bis(tris(chlorocyananilato)-iron(iii)) acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1510397: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[tris(mu- pyrazine-25-dicarboxylato)-tetra-aqua-di-erbium(iii) pentahydrate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1039718: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[(mu-22'-bipyrimidine)-bis(mu-oxalato)-di-cobalt pentahydrate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891594: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal Systemcatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper argon clathrate]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1897434: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal Structure(44'-dimethoxy-22'-bipyridine)-((99-dimethyl-9H-xanthene-45-diyl)bis(diphenylphosphane))-silver hexafluorophosphate unknown solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2011616: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographybis(1-benzyl-1H-imidazole)-bis(cyanato)-cobaltCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1031230: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterspentakis(mu3-22'-(ethane-12-diylbis((21-phenylene)azanidediyl))bis(oxoacetato))-heptakis(dimethyl sulfoxide)-heptakis(aqua)-penta-copper-penta-manganese dimethyl sulfoxide unknown solvate monohydrateExperimental 3D Coordinates
researchProduct

CCDC 1400958: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu2-22'-(Benzylimino)diacetato)-bis(acetato-OO')-deca-aqua-copper-di-erbium bis(22'-(benzylimino)diacetato)-copper hexahydrateExperimental 3D Coordinates
researchProduct

CCDC 1550275: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal Systemcatena-(bis(mu-chloro)-tetrachloro-tetrakis(1-ethenyl-1H-imidazole)-copper-rhenium)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 951150: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographybis(tetra-n-butylammonium) bis(mu~2~-((2-((carboxy(hydroxy)methylene)amino)-45-dinitrophenyl)amino)(oxo)acetato)-tetrakis(dimethyl sulfoxide)-tri-copperCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1983533: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographybis(N-benzyl-NN-diethylethanaminium) hexachloro-platinum(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1402554: Experimental Crystal Structure Determination

2015

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tetrakis(mu-oxo)-octakis(dimethyl sulfoxide)-tetrakis(oxalato)-di-chromium-di-niobium dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1550272: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(bis(mu-chloro)-tetrachloro-tetrakis(1-ethenyl-1H-124-triazole)-copper-rhenium)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891591: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal Systemcatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper carbon dioxide]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1039719: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu-oxalato)-(mu-22'-bipyrimidine)-di-zinc pentahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1400956: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographycatena-((mu3-22'-(Benzyliminio)diacetato)-(mu2-22'-(benzylimino)diacetato)-aqua-lanthanum)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1550271: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatescatena-(bis(mu-chloro)-tetrachloro-tetrakis(dimethylformamide)-copper-rhenium acetonitrile solvate)
researchProduct

CCDC 1430995: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(mu-chloro)-bis(mu-22'-(((2-(morpholin-4-yl)ethyl)azanediyl)bis(methylene))bis(6-methoxy-4-(prop-2-en-1-yl)phenolato))-dichloro-tetra-cobalt acetonitrile solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1045153: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal Structuredi-potassium tris(mu2-NN'-13-phenylenedipyrazine-2-carboxamidato)-di-nickel(ii) methanol solvate trihydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891582: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1891587: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1402553: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyammonium bis(29-dimethyl-110-phenanthrolin-1-ium) tris(oxalato)-oxo-niobium(v)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 986612: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structurehexakis(mu~4~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-hydroxo)-bis(2-[(hydroxyimino)methyl]quinolin-8-olate)-dimethoxo-tetrakis(methanol)-di-terbium-octa-nickel dichloromethane solvate octahydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1964202: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(mu-36-bis(pyridin-2-yl)pyridazine)-bis(mu-azido)-bis(36-bis(pyridin-2-yl)pyridazine)-diazido-tri-nickel(ii) bis(perchlorate) ethanol solvate dihydrate
researchProduct

CCDC 1415920: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-tetrakis(isothiocyanato)-di-cobalt(ii) toluene solvate]Experimental 3D Coordinates
researchProduct

CCDC 2011615: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(1-benzyl-1H-imidazole)-bis(isothiocyanato)-cobaltExperimental 3D Coordinates
researchProduct

CCDC 1453403: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1891590: Experimental Crystal Structure Determination

2019

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catena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-bis(dinitrogen)-di-copper(ii) dinitrogen]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1978261: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(4-amino-2266-tetramethylpiperidine N-oxido)-bis(111555-hexafluoroacetylacetonato)-cobalt(ii) ethyl acetate solvateExperimental 3D Coordinates
researchProduct

CCDC 1063253: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(35-dimethylpyridine 1-oxido)-(5101520-tetraphenylporphyrinato)-manganese perchlorate acetonitrile solvateExperimental 3D Coordinates
researchProduct

CCDC 1891593: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal Systemcatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper argon clathrate]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 949613: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal Systemtetrakis(tetra-n-butylammonium) bis(mu-22'-(naphthalene-15-diyldiimino)bis(oxoacetato))-di-copper(ii) tetrahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891579: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1872265: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographydiaqua-(5101520-tetraphenylporphinato)-iron(iii) perchlorateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898876: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates((99-dimethyl-9H-xanthene-45-diyl)bis(di-t-butylphosphine))-[tetrafluoroborate]-copper
researchProduct

CCDC 1020481: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographycatena-[bis(mu-33'-benzene-14-diylbisprop-2-enoato)-bis(44'-dipyridyl NN'-dioxide)-hexa-aqua-di-cobalt octahydrate]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891584: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1891576: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 953476: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemTetraphenylphosphonium (22'-((45-dichloro-12-phenylene)bis(imino))bis(oxoacetato))-bis(pyridine)-manganese(iii)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898875: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographybis((99-dimethyl-9H-xanthene-45-diyl)bis(diphenylphosphine))-silver perchlorate monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 966624: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(acetonitrile)-tetrachloro-rhenium acetonitrile solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1430996: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal Systembis(mu-chloro)-bis(mu-22'-(((2-(morpholin-4-yl)ethyl)azanediyl)bis(methylene))bis(6-methoxy-4-methylphenolato))-dichloro-tetra-cobalt acetonitrile solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1453402: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1819913: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu-3-{[(2-oxidophenyl)methylidene]amino}propane-12-diolato)-bis(mu-oxo)-tetrakis(NN-dimethylformamide)-dichloro-di-cobalt(iii)-di-manganese(ii)-di-manganese(iv) NN-dimethylformamide solvateExperimental 3D Coordinates
researchProduct

CCDC 2072597: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographycatena-(bis(mu-cyano)-(mu-25-bis(pyridin-2-yl)pyrazine)-aqua-hexacyano-(dimethyl sulfoxide)-(bis(1-methyl-1H-imidazol-2-yl)methanone)-tri-cobalt hydrate)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1053439: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(Sodium) bis(mu2-22'-(pyridine-26-diylbis(azanidediyl))bis(oxoacetato))-dichloro-di-copper pentadecahydrateExperimental 3D Coordinates
researchProduct

CCDC 1550274: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographytetrakis(1H-imidazole)-copper hexachloro-rhenium isopropanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1453405: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1415918: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-bis(isothiocyanato)-cobalt(ii) thianthrene methanol solvate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1875357: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-(11'-biphenyl)-44'-dicarboxylato)-bis(22'-{(1133-tetramethyldisiloxane-13-diyl)bis[(propane-31-diyl)azanylidenemethanylidene]}bis(46-di-t-butylphenolato))-di-manganese(iii) hydrateExperimental 3D Coordinates
researchProduct

CCDC 1891580: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1484386: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(577121414-hexamethyl-14811-tetraazacyclotetradeca-411-diene)-nickel tetrakis(isothiocyanato)-cobaltExperimental 3D Coordinates
researchProduct

CCDC 1515780: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal System(22'-{(1133-tetramethyldisiloxane-13-diyl)bis[(propane-31-diyl)(azanylylidene)methylylidene]}bis(46-di-t-butylphenolato))-(isothiocyanato)-manganese(iii) hydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1867783: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal Systemcatena-[bis(mu-dicyanamido)-bis(pyrazin-2-amine)-cobalt monohydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415921: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-bis(isothiocyanato)-cobalt(ii) pyrrole solvate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 927505: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu2-22'-(Ethane-12-diylbis(21-phenyleneimino))bis((oxo)acetato))-bis(ethanol)-di-copper(ii) ethanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1453399: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1414395: Experimental Crystal Structure Determination

2016

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catena-[tri-sodium (5101520-tetraphenylporphryinato)-manganese(iii) bis(tris(mu-22'-((246-trimethyl-13-phenylene)diazanylylidene)bis(oxidoacetato))-tetra-aqua-tri-copper(ii)-di-manganese(ii)) unknown solvate pentatriacontahydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898454: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(tetra(pyridin-2-yl)pyrazine)-nickel tris(mu-22'-(13-phenylenediazanediyl)bis(oxoacetato))-di-nickel nonahydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1474777: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(cytosine)-di-isothiocyanato-cobalt(ii)
researchProduct

CCDC 1029763: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal Systemhexakis(mu-2-(N'-oxidocarbamimidoyl)phenolato)-bis(mu-oxido)-hexakis(pyridine)-diaqua-hexa-manganese(ii) hexakis(mu-2-(N'-oxidocarbamimidoyl)phenolato)-bis(mu-oxido)-hexakis(pyridine)-bis(ethanol)-hexa-manganese(iii) bis(hexachloro-rhenium(iv)) acetonitrile solvate dodecahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1453406: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1891586: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1400955: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu-22'-(benzylimino)diacetato)-triaqua-di-samarium]Experimental 3D Coordinates
researchProduct

CCDC 1409933: Experimental Crystal Structure Determination

2015

Related Article: Nathália R. de Campos, Marcos A. Ribeiro, Willian X. C. Oliveira, Daniella O. Reis, Humberto O. Stumpf, Antônio C. Doriguetto, Flávia C. Machado, Carlos B. Pinheiro, Francesc Lloret, Miguel Julve, Joan Cano, Maria V. Marinho|2016|Dalton Trans.|45|172|doi:10.1039/C5DT03401A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-44'-sulfanediyldipyridine)-tetrakis(mu-3-phenylpropanoato)-di-copper]Experimental 3D Coordinates
researchProduct

CCDC 1518364: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesdiaqua-bis(mu-2-[([13-dihydroxy-2-(oxidomethyl)propan-2-yl]imino)methyl]-6-methoxyphenolato)-di-cobalt aqua-[benzene-13-dicarboxylato]-bis(mu-2-[([13-dihydroxy-2-(oxidomethyl)propan-2-yl]imino)methyl]-6-methoxyphenolato)-di-cobalt octahydrate
researchProduct

CCDC 1872883: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersdodecakis(mu-cyano)-hexakis(mu-22'-[cyclohexane-12-diylbis(azanylylidenemethylylidene)]diphenolato)-hexakis(mu-22'-[ethane-12-diylbis(azanylylidenemethylylidene)]diphenolato)-hexa-manganese(iii)-hexa-ruthenium(iii) triphenylphosphine acetonitrile methanol unknown solvate dodecahydrateExperimental 3D Coordinates
researchProduct

CCDC 1964204: Experimental Crystal Structure Determination

2020

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Space GroupCrystallography[mu-3-(pyridin-2-yl)-6-(pyridin-2-yl)pyridazine]-(mu-thiocyanato)-bis[3-(pyridin-2-yl)-6-(pyridin-2-yl)pyridazine]-bis(thiocyanato)-di-nickel(ii) thiocyanate unknown solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1522134: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structure((99-dimethyl-9H-xanthene-45-diyl)bis(diphenylphosphine))-(44'-dinitro-22'-bipyridine)-copper(i) tetrafluoroborate dichloromethane solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1522132: Experimental Crystal Structure Determination

2017

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(44'-dimethoxy-22'-bipyridine)-((99-dimethyl-9H-xanthene-45-diyl)bis(diphenylphosphine))-copper(i) tetrafluoroborate dichloromethane diethyl ether solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1849001: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-22'-[(2-oxy-5-methyl-13-phenylene)bis(methylene{[2-(pyridin-2-yl)ethyl]azanediyl}methylene)]bis(4-bromophenolato))-tris(mu-acetato)-bis(mu-hydroxo)-tetra-iron(iii) perchlorate acetonitrile solvate dihydrateExperimental 3D Coordinates
researchProduct

CCDC 986611: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systemhexakis(mu~4~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-hydroxo)-bis(2-[(hydroxyimino)methyl]quinolin-8-olate)-dimethanol-tetra-aqua-di-holmium-octa-nickel diperchlorate undecahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1582340: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(hexakis(mu-cyano)-(mu-oxalato)-tetrakis(mu-22'-[propane-13-diylbis(azanylylidenemethylylidene)]bis(6-methoxyphenolato))-tetra-aqua-hexacyano-di-chromium-tetra-copper-tetra-manganese hexahydrate)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415915: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[tetrakis(mu2-44'-(14-phenylenediethyne-21-diyl)dipyridine)-tetrakis(isothiocyanato)-di-cobalt 12-dichlorobenzene solvate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1510399: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu- pyrazine-25-dicarboxylato)-tetra-aqua-di-europium(iii) hexahydrate]Experimental 3D Coordinates
researchProduct

CCDC 927507: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatestetrakis(tetra-n-butylammonium) Bis(mu2-(((2-(2-(2-(((carboxy)carbonyl)amino)phenyl)ethyl)phenyl)amino)(oxo)acetato))-di-copper(ii) tetrahydrate
researchProduct

CCDC 1409935: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-22'-bipyrimidine)-bis(mu-3-phenylpropanoato)-nitrato-copper-sodium monohydrate]Experimental 3D Coordinates
researchProduct

CCDC 1432273: Experimental Crystal Structure Determination

2016

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catena-[bis(mu2-Dicyanamide)-bis(1-benzyl-1H-imidazole)-cobalt(ii)]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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2019

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Space GroupCrystallographyCrystal Systemdiaqua-bis(26-difluorobenzoato)-bis{4-[3-(pyridin-4-yl)propyl]pyridine}-cobaltCrystal StructureCell ParametersExperimental 3D Coordinates
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2016

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2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
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2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-111555-hexafluoroacetylacetonato)-(4-amino-2266-tetramethylpiperidine N-oxido)-bis(111555-hexafluoroacetylacetonato)-di-copper(ii)Experimental 3D Coordinates
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2019

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2013

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2019

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Space GroupCrystallographyCrystal System(mu-but-2-enedioato)-bis(22'-{(1133-tetramethyldisiloxane-13-diyl)bis[(propane-31-diyl)azanylidenemethanylidene]}bis(46-di-t-butylphenolato))-di-manganese(iii) dichloromethane solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(bis(tetra-aqua-lithium) tetrakis(mu-[(26-dimethylphenyl)amino](oxo)acetato)-aqua-chloro-di-copper-dysprosium tetrahydrate)Experimental 3D Coordinates
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2017

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2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(mu-22'-{ethane-12-diylbis[(21-phenylene)azanidediyl]}bis(oxoacetato))-heptadecakis(aqua)-hexa-cobalt(ii)-hexa-copper(ii) tritriacontahydrateExperimental 3D Coordinates
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2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstris[3-(pyridin-2-yl)-6-(pyridin-2-yl)pyridazine]-nickel(ii) bis(thiocyanate) 36-bis(pyridin-2-yl)pyridazine unknown solvateExperimental 3D Coordinates
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CCDC 948414: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal Structuretetrakis(Ethyl(triphenyl)phosphonium) bis(mu2-22'-((910-dioxo-910-dihydroanthracene-14-diyl)diimino)bis(oxoacetato))-di-copper(ii) icosahydrateCell ParametersExperimental 3D Coordinates
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CCDC 927506: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemDiethyl 22'-(ethane-12-diylbis(21-phenyleneimino))bis(oxoacetate)Crystal StructureCell ParametersExperimental 3D Coordinates
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2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-benzene-14-dicarboxylato)-bis(22'-{(1133-tetramethyldisiloxane-13-diyl)bis[(propane-31-diyl)azanylidenemethanylidene]}bis(46-di-t-butylphenolato))-di-manganese(iii) dichloromethane solvateExperimental 3D Coordinates
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2013

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CCDC 966623: Experimental Crystal Structure Determination

2017

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2016

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CCDC 1415916: Experimental Crystal Structure Determination

2016

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2020

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2016

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2021

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2015

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2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-bis(carbon dioxide)-di-copper dihydrate]Experimental 3D Coordinates
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CCDC 1550273: Experimental Crystal Structure Determination

2017

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CCDC 1978262: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(4-amino-2266-tetramethylpiperidine N-oxido)-tetrakis(111555-hexafluoroacetylacetonato)-neodymium(iii) 4-aminium-2266-tetramethylpiperidine N-oxido monohydrateExperimental 3D Coordinates
researchProduct

CCDC 1897435: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(44'-dimethoxy-22'-bipyridine)-((99-dimethyl-9H-xanthene-45-diyl)bis(diphenylphosphane))-silver perchlorate diethyl ether solvateExperimental 3D Coordinates
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CCDC 1409932: Experimental Crystal Structure Determination

2015

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2017

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researchProduct

CCDC 1400953: Experimental Crystal Structure Determination

2016

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CCDC 1978260: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(4-amino-2266-tetramethylpiperidine N-oxido)-bis(111555-hexafluoroacetylacetonato)-copper(ii)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1400957: Experimental Crystal Structure Determination

2016

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researchProduct

CCDC 1484383: Experimental Crystal Structure Determination

2018

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CCDC 1898874: Experimental Crystal Structure Determination

2019

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2021

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researchProduct

CCDC 1522133: Experimental Crystal Structure Determination

2017

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researchProduct

CCDC 1477730: Experimental Crystal Structure Determination

2016

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2019

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CCDC 1898456: Experimental Crystal Structure Determination

2020

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researchProduct

CCDC 966622: Experimental Crystal Structure Determination

2017

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2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-di-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 966625: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(acetonitrile)-tetrachloro-rhenium acetonitrile solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 995945: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-bis(mu-cyano)-bis(110-phenanthroline)-tetra-aqua-hexacyano-copper-di-iron-dysprosium nitrate heptahydrateExperimental 3D Coordinates
researchProduct

CCDC 986610: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyhexakis(mu~4~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-2-[(oxidoimino)methyl]quinolin-8-olato)-bis(mu~3~-hydroxo)-bis(2-[(hydroxyimino)methyl]quinolin-8-olate)-dimethanol-tetra-aqua-di-gadolinium-octa-nickel dinitrate dodecahydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1400952: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographycatena-(tris(mu3-22'-(Benzylimino)diacetato)-triaqua-di-neodymium)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1510395: Experimental Crystal Structure Determination

2017

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catena-[tris(mu- pyrazine-25-dicarboxylato)-tetra-aqua-di-cerium(iii) hexahydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1557650: Experimental Crystal Structure Determination

2017

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bis(tetrabutylammonium) decabromo-(mu-pyrazine)-di-rheniumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1510398: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatescatena-[tris(mu- pyrazine-25-dicarboxylato)-tetra-aqua-di-neodymium(iii) hexahydrate]
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CCDC 2047766: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu-oxalato)-hexa-aqua-di-gadolinium(iii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1557651: Experimental Crystal Structure Determination

2017

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bis(tetrabutylammonium) decabromo-(mu-135-triazine)-di-rheniumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 931372: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(tetramethylammonium) hexakis(mu~2~-2-([carboxylato(oxidanidyl)methylidene]amino)-3-methylbutanoato)-hexa-copper heptahydrateExperimental 3D Coordinates
researchProduct

CCDC 1020480: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersdiaqua-tetrakis(110-phenanthroline)-(mu-33'-(14-phenylene)bisacrylato)-di-manganese(ii) 33'-(14-phenylene)bisacrylate tetrahydrateExperimental 3D Coordinates
researchProduct

CCDC 1960115: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersazido-{2-({bis[(1H-benzimidazol-2-yl)methyl]amino}methyl)benzimidazolato}-cobalt(ii) methanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1892797: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-methylenebis(phosphonato))-tetrakis(110-phenanthroline)-diaqua-tetra-copper(ii) hydrateExperimental 3D Coordinates
researchProduct

CCDC 911161: Experimental Crystal Structure Determination

2013

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tetrakis(Tetra-n-butylammonium) bis(mu2-NN'-p-phenylenebis(oxamato))-di-copper(ii) methanol solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1891578: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 2011617: Experimental Crystal Structure Determination

2020

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catena-[bis(mu-azido)-bis(1-benzyl-1H-imidazole)-cobalt]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1849015: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-22'-[(2-oxido-5-methyl-13-phenylene)bis(methylene{[2-(pyridin-2-yl)ethyl]azanediyl}methylene)]bis(4-bromophenolato))-bis(mu-oxido)-tetrakis(mu-acetato)-tetra-iron(ii)-di-iron(iii) diethyl ether solvateExperimental 3D Coordinates
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CCDC 1964201: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal Systemtetrakis(mu-36-bis(pyridin-2-yl)pyridazine)-tetrakis(mu-azido)-tetra-nickel(ii) tetrachloride pentahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 854108: Experimental Crystal Structure Determination

2014

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CCDC 1432274: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographycatena-[bis(mu2-Dicyanamide)-bis(1-benzyl-2-methyl-1H-imidazole)-cobalt(ii)]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1524199: Experimental Crystal Structure Determination

2018

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researchProduct

CCDC 966619: Experimental Crystal Structure Determination

2017

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researchProduct

CCDC 1484385: Experimental Crystal Structure Determination

2018

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researchProduct

CCDC 1969475: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu-cyano)-dicyano-bis(hydrogen tripyrazolylborate)-bis(2-(2-pyridyl)imidazole)-tetrakis(nitrato)-bis(triphenylphosphine oxide)-di-iron-di-praseodymium acetonitrile solvateExperimental 3D Coordinates
researchProduct

CCDC 966621: Experimental Crystal Structure Determination

2017

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researchProduct

CCDC 1891589: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-diaqua-di-copper(ii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1867784: Experimental Crystal Structure Determination

2019

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catena-[tetrakis(mu-dicyanamido)-(mu-pyrazin-2-ol)-diaqua-bis(dicyanamido)-tetrakis(pyrazin-2(1H)-one)-tri-cobalt]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1491360: Experimental Crystal Structure Determination

2017

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researchProduct

CCDC 1891595: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-bis(prop-1-ene)-di-copper]Experimental 3D Coordinates
researchProduct

CCDC 1891596: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-(SS)-2-{[{[1-carboxylato-2-(1H-imidazol-4-yl)ethyl]carboximidato}(oxidanidyl)methylidene]amino}-3-(1H-imidazol-4-yl)propanoato)-bis(prop-1-ene)-di-copper]Experimental 3D Coordinates
researchProduct

CCDC 1471279: Experimental Crystal Structure Determination

2016

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researchProduct

CCDC 1409936: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu-hydroxo)-hexakis(mu-3-phenylpropanoato)-tris(mu-44'-propane-13-diyldipyridine)-tris(3-phenylpropanoato)-hexa-copper]Experimental 3D Coordinates
researchProduct

CCDC 1491361: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-tetrabromo-rheniumExperimental 3D Coordinates
researchProduct

CCDC 1989324: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(pyridine-26-diyl)-bis[N-(4-methoxyphenyl)methanimine]-cobalt(iii) tribromide pentabromide hydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1550276: Experimental Crystal Structure Determination

2017

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researchProduct