0000000001302023

AUTHOR

Oscar Fabelo

showing 98 related works from this author

Low-Dimensional 3d–4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]− Anions

2013

The synthesis, crystal structure, and magnetic properties of four new mixed 3d-4f complexes with formulas [{FeIII(phen)(CN)4} 4Gd2 III(bpym)(NO3) 2(H2O)4]·2CH3CN· 2H2O}n (1), [{FeIII(phen)(CN)4} 4Tb2 III(bpym)(H2O) 8]·(NO3)2·2CH3CN} n (2), [{FeIII(phen)(CN)4}4Sm III(bpym)(NO3)2(H2O) 5]·2CH3CN}n (3), and [{Fe III(phen)(CN)4}2Pr2 III(bpym)(NO3)4(H2O) 2]n (4) (phen = 1,10-phenanthroline and bpym = 2,2′-bipyrimidine) are discussed here. Compounds 1-3 are isomorphous and their structure consists of neutral ladder-like motifs where the rungs are made up by bpym-bridged dilanthanide(III) cations and the rods are defined by [Fe(phen)(CN)4]- units adopting a bis-monodentate coordination mode through…

Inorganic ChemistryCrystallographychemistry.chemical_compoundDenticityChemistryCyanideChelationCrystal structurePhysical and Theoretical ChemistrySpin (physics)Inorganic Chemistry
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Self-assembly of a chiral three-dimensional manganese(II)-copper(II) coordination polymer with a double helical architecture

2013

The use of the anionic dicopper(ii) complex, [CuII(mpba) 2]4- [mpba = N,N′-1,3-phenylenebis(oxamate)], as tetrakis(bidentate) metalloligand toward MnII ions in the presence of oxalate and the chiral (S)-trimethyl-(1-phenylethyl)ammonium cation affords the first example of a mixed oxalato/oxamato-based chiral 3D metal-organic polymer. © 2013 The Royal Society of Chemistry.

chemistry.chemical_classificationDenticityCoordination polymerInorganic chemistrychemistry.chemical_elementGeneral ChemistryPolymerManganeseCondensed Matter PhysicsCopperOxalateIonchemistry.chemical_compoundchemistryPolymer chemistryGeneral Materials ScienceSelf-assemblyCrystEngComm
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All-cis-1,2,3,4,5,6-cyclohexanehexacarboxylate two-dimensional gadolinium(III) complexes: Synthesis, X-ray crystal structure and magnetic properties

2010

Abstract The first gadolinium(III) complexes with the trideprotonated form of the 1,2,3,4,5,6-cyclohexanehexacarboxylic acid (H3clhex3−) of formulae [Gd(H3clhex)(H2O)4]n·3nH2O (1) and [Gd(H3clhex)(H2O)4]n·6nH2O (2) have been prepared through the gel technique and their structures determined by single crystal X-ray diffraction. The structure of 1 is made up of 63 honey-comb layers which are generated by [Gd(H2O)4]3+ cations and H3clhex3− anions acting as three-fold nodes and three-fold connectors, respectively. The structure of 2 consists of a [44,62] two-dimensional network extended in the ac plane where the H3clhex−3 groups act as four-fold connectors and the [Gd(H2O)4]3+ units as four-fol…

LigandGadoliniumchemistry.chemical_elementCrystal structureAtmospheric temperature rangeInorganic ChemistryCrystalCurie's lawCrystallographychemistryMaterials ChemistryMetal-organic frameworkPhysical and Theoretical ChemistrySingle crystalPolyhedron
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Copper(II)-methylmalonate complexes with unidentate N-donor ligands: Syntheses, structural characterization and magnetic properties

2009

Abstract Two new methylmalonate-bridged copper(II) complexes with the formulas [Cu(3-Ipy)(Memal)(H 2 O)] ( 1 ) and [Cu(2,4′-bpy)(Memal)(H 2 O)] · 3H 2 O ( 2 ) [Memal = methylmalonate dianion, 3-Ipy = 3-iodopyridine, 2,4′-bpy = 2,4′-bipyridine] have been synthesized and characterized by X-ray diffraction. Both compounds crystallize in the monoclinic space group P 2 1 / n and Z  = 4, with unit cell parameters a  = 8.5874(13) A, b  = 7.1738(14) A, c  = 19.093(5) A, β  = 99.509(15)° in 1 and a  = 17.375(4) A, b  = 7.3305(14) A, c  = 14.247(3) A, β  = 111.409(15)° in 2 . The structures of 1 and 2 consist of zigzag chains of anti-syn carboxylate-bridged copper(II) ions running along the b directi…

DenticityHydrogen bondCoordination polymerchemistry.chemical_elementAtmospheric temperature rangeCrystal engineeringMagnetic susceptibilityCopperInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryMaterials ChemistryPhysical and Theoretical ChemistryMonoclinic crystal systemPolyhedron
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[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d–4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, b…

2010

The synthesis, crystal structure and magnetic properties of a new series of mixed 3d–4f complexes with the formula [{FeIII(phen)(CN)3(μ-CN)}4Ln2III(NO3)2(H2O)6(μ-bpym)]·nH2O [Ln = Eu (1), Gd (2), Dy (3) and Ho (4); n = 8 (1, 3 and 4) and 11 (2); phen = 1,10-phenantroline; bpym = 2,2′-bipyrimidine] are discussed here. Compounds 1–4 are centrosymmetric hexanuclear species whose structure is made up of two cyano-bridged {Fe2IIILnIII} heterobimetallic moieties which are connected through a bis-bidentate bpym molecule between the two rare-earth centers. The values of the iron–lanthanide distance across the single cyano-bridge are Fe(1)⋯Eu(1) = 5.5587(8) and Fe(2)⋯Eu(1) = 5.4908(8) A (1), Fe(1)⋯G…

LanthanideDenticityStereochemistryChemistryHydrogen bondGeneral ChemistryCrystal structureCondensed Matter PhysicsSquare antiprismCrystallographyOctahedronIntramolecular forceMoleculeGeneral Materials ScienceCrystEngComm
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Crystal growth and structural remarks on malonate-based lanthanide coordination polymers

2016

The synthesis, structural characterization and thermal study of new coordination polymers (CPs) of formula [Ln2(mal)3(H2O)5]·2H2O [Ln = Ho (1·2H2O), Tb (1a), Dy (1b), Er (1c) and Yb (1d); mal = malonate], [Ln2(mal)3(H2O)6] [Ln = Sm (2) and Ce (2a)], [Ce2(mal)3(H2O)6]·2H2O (3·2H2O) and [Ce2(mal)3(H2O)3]·2H2O (4·2H2O) are presented. Complexes 1–4 have been also characterized by single crystal X-ray diffraction. The structure of 2 was previously reported (Elsegood, M. R. J., Husain, S., Private Communication, 2014) and it is very close to that of 3. In the light of these results and those previously reported in the literature for malonate-containing lanthanide(III) complexes, a detailed overvi…

Lanthanidechemistry.chemical_classificationMaterials science010405 organic chemistryHydrogen bondSupramolecular chemistryCrystal growthGeneral ChemistryCrystal structurePolymer010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical scienceschemistry.chemical_compoundCrystallographyMalonatechemistryGeneral Materials ScienceSingle crystalCrystEngComm
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Novel malonate-containing coordination compounds with ligands having N-And NO-donors: Synthesis, structures, and magnetic properties

2012

In our efforts to tune the structures of mixed-ligands malonate-containing coordination compounds, four copper(II) and two high-spin cobalt(II) complexes of formulas [Cu(mal)(H 2O)(dpo)] n (1), [Cu 2(mal) 2(H 2O) 2(dpp)] n · 7nH 2O (2), [Cu 2(mal) 2(H 2O) 2-(bpe)] n · 2nH 2O (3), {[Cu(mal) 2(H 2O) 2][Cu(dien)]} n · 4nH 2O (4)[Co 2(mal) 2(H 2O) 6(dpo)] ·2H 2O(5) and [Co(mal)(H 2O)(phen)] n · 2nH 2O (6) [H 2mal = malonic acid, dpo =4,4'-bipyridine-N,N'-dioxide, dpp = 2,3-bis(pyridyl)pyrazine, bpe =1,2-bis(4-pyridyl)ethylene, dien = diethylenetriamine and phen = 1,10-phenanthroline] have been synthesized and structurally characterized by X-ray diffraction on single crystals. Complexes 1, 2, 4,…

chemistry.chemical_classificationDenticityPyrazineLigandStereochemistryBridging ligandGeneral ChemistryMalonic acidCondensed Matter PhysicsCoordination complexchemistry.chemical_compoundMalonatechemistryDiethylenetriamineGeneral Materials ScienceCrystal Growth and Design
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Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(iii) complexes

2010

Two new digadolinium(III) complexes with monocarboxylate ligands, [Gd2(pac)6(H2O)4] (1) and [Gd2(tpac)6(H2O)4] (2) (Hpac = pentanoic acid and Htpac = 3-thiopheneacetic acid), have been prepared and their structures determined by X-ray diffraction on single crystals. Their structures consist of neutral and isolated digadolinium(III) units, containing six monocarboxylate ligands and four coordinated water molecules, the bridging skeleton being built by a muO(1):kappa2O(1)O(2) framework. This structural pattern has already been observed in the parent acetate-containing compound [Gd2(ac)6(H2O)4] x 4 H2O (3) whose structure and magnetic properties were reported elsewhere (L. Cañadillas-Delgado, …

StereochemistryGadoliniumchemistry.chemical_elementAtmospheric temperature rangeMagnetic susceptibilitySquare antiprismInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryIntramolecular forceAntiferromagnetismMoleculeCarboxylateDalton Transactions
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A step further in the comprehension of the magnetic coupling in gadolinium(III)-based carboxylate complexes

2013

Three new gadolinium(III) complexes of formula [Gd4(bta) 3(H2O)16]n·12nH2O (1), [Gd4(bta)3(H2O)12] n·18nH2O (2) and [Gd2(H 2bta)(bta)(H2O)2]n·4nH 2O (3) (H4bta = 1,2,4,5-benzenetetracarboxylic acid) have been synthesized and their structures determined by X-ray diffraction. 1 and 3 are three-dimensional compounds whereas 2 exhibits a two-dimensional structure. The ability of the bta4- to adopt different coordination modes accounts for these high dimensionalities although it precludes a rational structural design. The structures of 1-3 have in common the double oxo-carboxylate bridge between gadolinium(III) ions (μ-O: κ2O,O′) either as a discrete units (1 and 2) or as a chain (3) and one (3)…

DiffractionMetal–organic frameworksStereochemistryGadoliniumchemistry.chemical_elementMagneto–structural correlationsAtmospheric temperature rangeInductive couplingIonInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryAntiferromagnetismMetal-organic frameworkCarboxylatePhysical and Theoretical ChemistryMolecular magnetismGadolinium(III)Polyhedron 52: 321-332 (2013)
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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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Neutron diffraction studies of the molecular compound [Co 2(bta)]n (H4bta =1,2,4,5-benzenetetracarboxylic acid): In the quest of canted ferromagnetism

2013

The exchange mechanism and magnetic structure of the organic-inorganic layered molecule-based magnet [Co2(bta)]n (1) (H 4bta =1,2,4,5-benzenetetracarboxylic acid) have been investigated through variable-temperature magnetic susceptibility measurements and supported with a series of neutron diffraction experiments. Cryomagnetic studies have shown an antiferromagnetic ordering at a transition temperature of 16 K that is followed by the appearance of a weak ferromagnetism below 11 K. The weak antiferromagnetic interlayer interaction plays an important role in this system in spite of the long interlayer separation. A ferromagnetic ordering is induced by applied magnetic fields greater than 1800…

Condensed matter physicsMagnetic structureChemistryTransition temperatureNeutron diffractionMagnetic susceptibilityMagnetic fieldInorganic ChemistryCondensed Matter::Materials ScienceNuclear magnetic resonanceFerromagnetismMagnetAntiferromagnetismCondensed Matter::Strongly Correlated ElectronsPhysical and Theoretical ChemistryInorganic Chemistry
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Effect of linker distribution in the photocatalytic activity of multivariate mesoporous crystals

2021

The use of Metal-Organic Frameworks as crystalline matrices for the synthesis of multiple component or multivariate solids by the combination of different linkers into a single material has emerged as a versatile route to tailor the properties of single-component phases or even access new functions. This approach is particularly relevant for Zr6-MOFs due to the synthetic flexibility of this inorganic node. However, the majority of materials are isolated as polycrystalline solids, which are not ideal to decipher the spatial arrangement of parent and exchanged linkers for the formation of homogeneous structures or heterogeneous domains across the solid. Here we use high-throughput methodologi…

Band gapUio-66Postsynthetic Ligand010402 general chemistry01 natural sciencesBiochemistryCatalysischemistry.chemical_compoundTetrazineColloid and Surface ChemistryQUIMICA ORGANICAMetal-Organic FrameworksFunctional-GroupsZeolitic Imidazolate FrameworksTotal-Energy CalculationsExchangeGeneral Chemistry0104 chemical scienceschemistryChemical engineeringPhotocatalysisChemical stabilityCrystalliteMesoporous materialLinkerDerivative (chemistry)
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[Cu3(Hmesox)3]3−: a Precursor for the Rational Design of Chiral Molecule-Based Magnets (H4mesox = 2-dihydroxymalonic acid)

2010

Two new compounds K(3)[Cu(3)(Hmesox)(3)(H(2)O)] x 4 H(2)O (1) and {(PPh(4))(2)[CoCu(3)(Hmesox)(3)Cl]} (2) [H(4)mesox = mesoxalic acid (2-dihydroxymalonic acid) and PPh(4)(+) = tetraphenylphosphonium cation] have been prepared and magneto-structurally characterized. Compound 1 contains the [Cu(3)(Hmesox)(3)](3-) entity which can be considered as a new precursor for molecular magnetism. In 1 the triangular arrangement of three copper(II) ions bridged by alkoxo groups are further connected to a symmetry-related tricopper(II) unit through a double oxo(carboxylate) bridge. The resulting hexacopper(II) entities are joined further through anti-syn carboxylate groups into an anionic three-dimension…

MagnetismStereochemistryMesoxalic acidchemistry.chemical_elementCharge (physics)Atmospheric temperature rangeCopperIonInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryAntiferromagnetismCarboxylatePhysical and Theoretical ChemistryInorganic Chemistry
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Well-resolved unusual alternating cyclic water tetramers embedded in a crystal host

2008

Infinite network involving two hydrogen-bonded tetrameric water rings (S4 and D2h) in a (4,4)-square grid crystal host

CrystalCrystallographyChemistryQuantitative Biology::Molecular NetworksGeneral Materials ScienceGeneral ChemistryCondensed Matter PhysicsHost (network)CrystEngComm
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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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The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron (II)…

2012

Neutron diffraction studies have been carried out to shed light on the unprecedented order-disorder phase transition (ca. 155 K) observed in the mixed-valence iron(II)-iron(III) formate framework compound [NH 2(CH3)2]n[FeIIIFe II(HCOO)6]n. The crystal structure at 220 K was first determined from Laue diffraction data, then a second refinement at 175 K and the crystal structure determination in the low temperature phase at 45 K were done with data from the monochromatic high resolution single crystal diffractometer D19. The 45 K nuclear structure reveals that the phase transition is associated with the order-disorder of the dimethylammonium counterion that is weakly anchored in the cavities …

Phase transitionMagnetic structureChemistryNeutron diffraction02 engineering and technologyGeneral ChemistryCrystal structure010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesBiochemistryCatalysis0104 chemical sciencesCrystallographyColloid and Surface ChemistryFerrimagnetismX-ray crystallographyMultiferroics0210 nano-technologySingle crystal
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Metal-organic coordination frameworks based on mixed methylmalonate and 4,4′-bipiridine ligands: synthesis, crystal structure and magnetic properties

2010

Five new complexes of formulae [M2(4,4′-bpy)(Memal)2X2]n [M = Fe(III) (2), Mn(II) (3), Co(II) (4), Ni(II) (5) and Zn(II) (6), and X = Cl−/OH− (2) and H2O (3–6); 4,4′-bpy = 4,4′-bipyridine and Memal = methylmalonate dianion] have been synthesized by following the previously reported procedure for [Cu2(4,4′-bpy)(Memal)2(H2O)2]n (1). Moreover, two new phases of the Cu(II)/Memal/4,4′-bpy system, namely {[Cu(4,4′-bpy)2][Cu(4,4′-bpy)2(Memal)(NO3)(H2O)]}n·nNO3·3.5nH2O (7) and [Cu(4,4′-bpy)2(Memal)(H2O)]n·nH2O (8), were obtained by varying the synthetic conditions. They were all structurally characterized by single crystal X-ray diffraction, and the magnetic properties of 2–5, 7 and 8 were investig…

DenticityLigandchemistry.chemical_elementGeneral ChemistryCrystal structureCopperCatalysisMetalCrystallographychemistry.chemical_compoundchemistryvisual_artMaterials Chemistryvisual_art.visual_art_mediumAntiferromagnetismCarboxylateSingle crystalNew Journal of Chemistry
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Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S–C bond cleavage

2013

Four new complexes, [Cu2(C2O4) 2(SCS)]·3H2O (1), [Cu2(C 2O4)3(SCSH)2]·H2O (2), [Cu(C2O4)(SS)2]·3H2O (3) and [Cu(C2O4)(SS)]·6H2O (4) [where SCS = bis(4-pyridylthio)methane and SS = 4,4′-dipyridyldisulfide], have been synthesized by the reaction of the SS and SCS ligands with the corresponding copper(ii) oxalate salt. The different synthetic conditions allowed control of the preparation of a 3D open metal-organic framework in 1, a dinuclear zwitterionic molecular compound in 2 and one- and two-dimensional (1D and 2D) coordination polymers in 3 and 4, respectively. Compound 4 was also obtained by in situ transformation of the dithioether ligand (SCS) to the disulfide ligand (SS) under hydrothe…

BinodalLigandStereochemistrychemistry.chemical_elementGeneral ChemistryCrystal structureCondensed Matter PhysicsCopperOxalatechemistry.chemical_compoundCrystallographychemistryAntiferromagnetismMoleculeGeneral Materials ScienceBond cleavageCrystEngComm
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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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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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Influence of the presence of divalent first-row transition metal ions on the structure of sodium(i) salts of 1,2,3,4-benzenetetracarboxylic acid (H4b…

2006

Three different sodium(I)-containing salts of 1,2,4,5-benzenetetracarboxylic (H4bta) of formula [Na4(bta)(H2O)12] (1), [Na2M(H2bta)2(H2O)8]·2H2O] [M = Mn (2) and Ni (3)] were synthesized and their structures were solved by single crystal X-ray diffraction methods. Compound 1 crystallises in orthorhombic system, space group Pc21b with a = 6.9997(4) A, b = 16.4260(9) A, c = 20.3312(18) A, V = 476.30(15) A3 and Z = 4. Compounds 2 and 3 crystallize in the monoclinic system, space group C2/m with a = 7.3778(4) A, b = 20.1493(6) A, c = 10.4963(4) A, β = 103.466(8)°, V = 1517.5(11) A3 and Z = 2 for 1 and a = 7.2862(4) A, b = 20.1165(7) A, c = 10.4032(3) A, β = 103.366(9)°, V = 1483.52(11) A3 and Z…

StereochemistryLigandChemistryHydrogen bondMetal ions in aqueous solutionGeneral ChemistryCondensed Matter Physicslaw.inventionCrystallographylawMoleculeGeneral Materials ScienceOrthorhombic crystal systemCrystallizationIsostructuralMonoclinic crystal systemCrystEngComm
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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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Synthesis, crystal structure, and magnetic characterization of the three-dimensional compound [Co2(cbut)(H2O) 3]n (H4cbut = 1,2,3,4- cyclobutanetetra…

2014

A novel cobalt(II) complex of formula [Co2(cbut)(H 2O)3]n (1) (H4cbut = 1,2,3,4-cyclobutanetetracarboxylic acid) has been synthesized under hydrothermal conditions and its crystal structure has been determined by means of synchrotron radiation and neutron powder diffraction. The crystal structure of 1 consists of layers of cobalt(II) ions extending in the bc-plane which are pillared along the crystallographic a-axis through the skeleton of the cbut 4- ligand. Three crystallographically independent cobalt(II) ions [Co(1), Co(2), and Co(3)] occur in 1. They are all six-coordinate with four carboxylate-oxygens [Co(1)-Co(3)] and two cis-[Co(1)] or trans-water molecules [Co(2) and Co(3)] buildin…

ChemistryLigandchemistry.chemical_elementCrystal structureHydrothermal circulationIonInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronMoleculeCarboxylatePhysical and Theoretical ChemistryCobalt
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High proton conduction in a chiral ferromagnetic metal-organic quartz-like framework.

2011

A complex-as-ligand strategy to get a multifunctional molecular material led to a metal-organic framework with the formula (NH(4))(4)[MnCr(2)(ox)(6)]·4H(2)O. Single-crystal X-ray diffraction revealed that the anionic bimetallic coordination network adopts a chiral three-dimensional quartz-like architecture. It hosts ammonium cations and water molecules in functionalized channels. In addition to ferromagnetic ordering below T(C) = 3.0 K related to the host network, the material exhibits a very high proton conductivity of 1.1 × 10(-3) S cm(-1) at room temperature due to the guest molecules.

DiffractionProton010405 organic chemistryChemistryStereochemistryGeneral ChemistryConductivity010402 general chemistryThermal conduction01 natural sciencesBiochemistryCatalysis0104 chemical sciencesMetalCrystallographyColloid and Surface ChemistryFerromagnetismvisual_artvisual_art.visual_art_mediumMoleculeBimetallic stripJournal of the American Chemical Society
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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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New 3d–4f supramolecular systems constructed by [Fe(bipy)(CN)4]− and partially blocked lanthanide cations

2009

Abstract The reaction of acetonitrile (1–5) and mixed acetonitrile/water 1:1 (6–9) solutions containing the cyanide-bearing [Fe(bipy)(CN)4]− building block (bipy = 2,2′-bipyridine) and the partially blocked [Ln(bpym)]3+ cation (Ln = lanthanide trivalent cation and bpym = 2,2′-bipyrimidine) has afforded two new families of 3d–4f supramolecular assemblies of formula [Ln(bpym)(NO3)2(H2O)3][Fe(bipy)(CN)4] · H2O · CH3CN [Ln = Sm (1), Gd (2), Tb (3), Dy (4) and Ho (5)] and [Ln(bpym)(NO3)2(H2O)4][Fe(bipy)(CN)4] [Ln = Pr (6), Nd (7), Sm (8), Gd (9)]. They crystallize in the P21/c (1–5) and P2/c (6–9) space groups and their structures are made up of [Fe(bipy)(CN)4]− anions (1–9) and [Ln(bpym)(NO3)2(…

LanthanideDenticityHydrogen bondChemistrySupramolecular chemistrySpace groupInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronMaterials ChemistryMoleculePhysical and Theoretical ChemistryAcetonitrilePolyhedron
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Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)

2007

Four new high-spin cobalt(II) complexes of formula [Co(H2O)6](H2bta)·dpo·4H2O (1), [{Co(H2O)4(dpo)}2(bta)]·4H2O·(2), [Co(H2O)2)(dpo)2(H2bta)]n (3) and [Co(H2O)3(dpo)(bta)1/2]n (4) (H4bta = 1,2,4,5-benzenetetracarboxylic acid and dpo = 4,4′-bipyridine-N,N′-dioxide) have been synthesized and their structures solved by single crystal X-ray diffraction methods. Compound 1 is an ionic salt whose structure is made up of [Co(H2O)6]2+ cations, H2bta2− anions, uncoordinated dpo groups and crystallization water molecules, which are linked by extensive hydrogen bonds to afford a three-dimensional network. The structure of 2 consists of bta-bridged dinuclear cobalt(II) complexes where four coordinated …

LigandStereochemistryHydrogen bondIonic bondingchemistry.chemical_elementGeneral ChemistryCondensed Matter Physics44'-Bipyridinechemistry.chemical_compoundCrystallographychemistryOctahedronIntramolecular forceMoleculeGeneral Materials ScienceCobaltCrystEngComm
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A three-dimensional copper(ii) 12-metallacrown-4 complex with malonomonohydroxamic acid (H3mmh) as a ligand

2011

Slow diffusion of an ethanolic solution of copper(ii) into an aqueous solution of partially deprotonated malonodihydroxamic acid (H4mdh) affords the pentanuclear complex of formula {[K(H2O) 2]2[Cu5(mmh)4]}n (1) (H3mmh = malonomonohydroxamic acid) which is formed by 12-MC-4 metallacrown units with the fifth copper(ii) ion being placed at the center of the square metallacrown unit. The dianionic pentacopper(ii) planar entity interacts with diaquapotassium(i) counterions through the carboxylate-oxygen atoms resulting in a neutral three-dimensional structure. Magnetic susceptibility measurements in the temperature range 1.9-300 K for 1 show the occurrence of relatively strong antiferromagnetic …

LigandInorganic chemistrychemistry.chemical_elementGeneral ChemistryCopperMagnetic susceptibilityCatalysislaw.inventionMetalCrystallographyDeprotonationchemistrylawvisual_artMaterials Chemistryvisual_art.visual_art_mediumAntiferromagnetismElectron paramagnetic resonanceMetallacrownNew Journal of Chemistry
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Postsynthetic Improvement of the Physical Properties in a Metal-Organic Framework through a Single Crystal to Single Crystal Transmetallation

2015

As ingle crystal to single crystal transmetallation process takes place in the three-dimensional (3D) metal- organic framework (MOF) of formula Mg II 2{Mg II 4(Cu II 2- (Me3mpba)2)3}·45 H2 O( 1 ;M e 3mpba 4¢ = N,N'-2,4,6-trimethyl- 1,3-phenylenebis(oxamate)). After complete replacement of the Mg II ions within the coordination network and those hosted in the channels by either Co II or Ni II ions, 1 is transmetallated to yield two novel MOFs of formulae Co2 II {Co II 4(Cu II 2(Me3- mpba)2)3}·56 H2 O( 2 )a nd Ni2 II {Ni II 4(Cu II 2(Me3mpba)2)3}· 54 H2 O( 3). This unique postsynthetic metal substitution affords materials with higher structural stability leading to enhanced gas sorption and m…

ChemistryLigandStereochemistryMetal ions in aqueous solutionSupramolecular chemistryGeneral MedicineGeneral ChemistryCatalysisMetalCrystalTransmetalationCrystallographyvisual_artYield (chemistry)visual_art.visual_art_mediumSingle crystalAngewandte Chemie International Edition
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Cobalt(II) Sheet-Like Systems Based on Diacetic Ligands: from Subtle Structural Variances to Different Magnetic Behaviors

2009

The preparation, X-ray crystallography, and magnetic investigation of the compounds [Co(H(2)O)(2)(phda)](n) (1), [Co(phda)](n) (2), and [Co(chda)](n) (3) [H(2)phda = 1,4-phenylenediacetic acid and H(2)chda = 1,1-cyclohexanediacetic acid] are described herein. The cobalt atoms in this series are six- (1) and four-coordinated (2 and 3) in distorted octahedral (CoO(6)) and tetrahedral (CoO(4)) environments. The structures of 1-3 consists of rectangular-grids which are built up by sheets of cobalt atoms linked through anti-syn carboxylate bridges, giving rise to either a three-dimensional structure across the phenyl ring (1 and 2) or to regularly stacked layers with the cyclohexyl groups acting…

Stereochemistrychemistry.chemical_elementRing (chemistry)Magnetic fieldIonInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronFerromagnetismchemistryTetrahedronCarboxylatePhysical and Theoretical ChemistryCobaltInorganic Chemistry
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Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: Influence of the conformation of different alkyl/aryl subs…

2014

et al.

chemistry.chemical_classificationDenticityStereochemistrychemistry.chemical_elementGeneral ChemistryManganeseCrystal structureCondensed Matter PhysicsCrystallographychemistry.chemical_compoundMalonatechemistryGeneral Materials ScienceCarboxylateSingle crystalAlkylSpin canting
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Permanent Porosity in Hydroxamate Titanium-Organic Polyhedra.

2021

Following the synthesis of hydroxamate titanium–organic frameworks, we now extend these siderophore-type linkers to the assembly of the first titanium–organic polyhedra displaying permanent porosity. Mixed-linker versions of this molecular cage (cMUV-11) are also used to demonstrate the effect of pore chemistry in accessing high surface areas of near 1200 m2·g–1.

Colloid and Surface Chemistry010405 organic chemistryGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical sciencesJournal of the American Chemical Society
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Unprecedented coexistence of cyano-bridged Mn4(III)Cr(III) and Mn2(III)Cr(III) heterobimetallic complexes in one single crystal.

2008

The penta-[{MnIII(4-MeO-salen)(H2O)(micro-CN)}4CrIII(CN)2]+ and trinuclear [{MnIII(4-MeO-salen)(H2O)(micro-CN)}2CrIII(CN)4](-) units coexist in 1 with weak antiferromagnetic interactions which are overcome by a dc magnetic field of 2.5 T.

Inorganic ChemistryCrystallographyChemistryAntiferromagnetismSingle crystalMagnetic fieldDalton transactions (Cambridge, England : 2003)
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A novel oxalate-based three-dimensional coordination polymer showing magnetic ordering and high proton conductivity

2017

A novel three-dimensional (3D) coordination polymer with the formula (C3N2H5)4[MnCr2(ox)6]·5H2O (2), where ox = oxalate and C3N2H5 = imidazolium cation, is reported. Single crystal X-ray diffraction reveals that this porous coordination polymer adopts a chiral three-dimensional quartz-like architecture, with the guest imidazolium cations and water molecules being hosted in its pores. This novel multifunctional material exhibits both a ferromagnetic ordering at TC = 3.0 K, related to the host MnCr2 network, and high proton conductivity [1.86 × 10−3 S cm−1 at 295 K and 88% relative humidity (RH)] due to the presence of the acidic imidazolium cations and free water molecules. The similarity of…

ProtonChemistryCoordination polymerInorganic chemistry02 engineering and technologyConductivity010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesOxalate0104 chemical sciencesInorganic ChemistryCrystallographychemistry.chemical_compoundFerromagnetismMolecule[CHIM]Chemical SciencesAmmonium0210 nano-technologySingle crystalComputingMilieux_MISCELLANEOUS
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Synthesis, crystal structure and magnetic characterization of a series of CuII-LnIII heterometallic [Ln = La, Ce, Pr, Nd and Sm) metal-organic compou…

2013

The synthesis and structural characterization of five Cu(II)-Ln(III) heteronuclear metal-organic frameworks of formula {[Ln4Cu 4(H2O)26(bta)5]·mH 2O}n and {[Ln4Cu4(H 2O)24(bta)5]·pH2O} n [Ln = LaIII (1A/1B), CeIII (2A/2B), Pr III (3A/3B), NdIII (4A/4B) and SmIII (5A/5B) with m/p = 20 (1A)/16 (1B), 18 (2A)/16 (2B), 14 (3A)/16 (3B), 22 (4A)/16 (4B) and 21 (5A)/14 (5B); H4bta =1,2,4,5-benzenetetracarboxylic acid (1-5)] have been performed. These compounds present a single-crystal to single-crystal phase transition from expanded A phases toward the B shrinking networks, which is triggered only in the presence of a dry environment. This phase transition is accompanied by a compression of the cry…

MetalPhase transitionCrystallographyHeteronuclear moleculeChemistryvisual_artCell volumevisual_art.visual_art_mediumGeneral Materials ScienceGeneral ChemistryCrystal structureCondensed Matter PhysicsSingle crystalCrystal Growth and Design
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Synthesis, crystal structure and magnetic properties of the cyclic tetranuclear compound [Cu4(pz)4(hppa)2(H2O)4] [pz = pyrazolate; hppa = R,S-2-hydro…

2019

Abstract The synthesis, X-ray structure and magnetic properties of the neutral tetranuclear copper(II) complex of formula [Cu4(pz)4(hppa)2(H2O)4] (1) [Hpz = pyrazole and hppa = R,S-2-hydroxo-2-phenyl-2-(1-pyrazolyl)acetate] are reported. Remarkably, the structure of 1 reveals the presence of the S- and R-forms of the new hppa ligand which is formed in situ in the complex reaction between copper(II), pyrazole and phenylmalonate in water:methanol solvent mixture under ambient conditions. The two crystallographically independent copper(II) ions [Cu(1)/Cu(2)] are five-coordinate in square pyramidal surroundings. Three nitrogen atoms, from two pz groups and one hppa ligand and one oxygen atom of…

010405 organic chemistrychemistry.chemical_elementCrystal structurePyrazole010402 general chemistry01 natural sciencesMagnetic susceptibilityCopperSquare pyramidal molecular geometry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryAntiferromagnetismMoleculeCarboxylatePhysical and Theoretical ChemistryPolyhedron
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[MIII(bpym)(CN)4]−: a suitable building block to design ferrimagnetic cyano-bridged heterobimetallic chains (M = Fe, Cr; bpym = 2,2′-bypyrimidine)

2008

Two cyano-bridged M(III)Mn(III) [M = Fe () and Cr ()] ferrimagnetic chains are reported; exhibits metamagnetism with two critical fields of 1250 G and 2.0 T which correspond to the overcoming by the applied dc field of the inter- and intrachain magnetic interactions, respectively.

Inorganic ChemistryDc fieldCrystallographyMaterials scienceCondensed matter physicsFerrimagnetismBlock (telecommunications)MetamagnetismDalton Transactions
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Influence of the coligand in the magnetic properties of a series of copper(ii)–phenylmalonate complexes

2014

This work presents a series of layered systems based on phenylmalonate-containing copper(II) complexes and different coligands. Eight compounds [Cu(L)(Phmal)]n where L = pyrimidine (pym, 1) pyrazine (pyz, 2), 3-cyanopyridine (3-CNpy, 3), 4-cyanopyridine (4-CNpy, 4), 3-fluoropyridine (3-Fpy, 5), 3-chloropyridine (3-Clpy, 6), 3-bromopyridine (3-Brpy, 7) and 3-iodopyridine (3-Ipy, 8), have been synthesized and magneto-structurally characterized. The coligands selected not only modify the coordination environment of the metal ion, blocking or extending the polymerization, but also interact with the phenyl ring of the phenylmalonate ligand and dramatically affect the crystal packing through weak…

PyrazineStereochemistryLigandchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsRing (chemistry)Magnetic susceptibilityCopperchemistry.chemical_compoundCrystallographysymbols.namesakechemistrysymbolsPhenyl groupGeneral Materials ScienceVan der Waals radiusCarboxylateCrystEngComm
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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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Synthesis, structural analysis, and thermal and spectroscopic studies of methylmalonate-containing zinc(II) complexes

2012

The synthesis, crystal structure, thermal analysis and spectroscopic studies of five zinc(II) complexes of formulae [Zn(Memal)(H2O)]n (1) and [Zn2(L)(Memal)2(H2O)2]n (2-5) [H2Memal = methylmalonic acid, and L = 4,4′-bipyridine (4,4′-bpy) (2), 1,2-bis(4-pyridyl)ethylene (bpe) (3), 1,2-bis(4-pyridyl)ethane (bpa) (4) and 4,4′-azobispyridine (azpy) (5)] are presented here. The crystal structure of 1 is a three-dimensional arrangement of zinc(II) cations interconnected by methylmalonate groups adopting the μ3-κ2O:κO’:κO”:κO”’ coordination mode to afford a rare (10,3)-d utp-network. The structures of the compounds 2-5 are also three-dimensional and they consist of corrugated square layers of meth…

ChemistryStereochemistryLigandGeneral Chemical Engineeringchemistry.chemical_elementGeneral ChemistryZincCrystal structureCrystal engineeringFluorescence spectroscopyCrystallographyOctahedronMoleculeThermal analysisComptes Rendus Chimie
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Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands

2009

Four new high-spin cobalt(II) complexes of formulae [Co2(bta)(4,4′-bpy)2(H2O)2]n (1), {Hbpe[Co(Hbta)(bpe)(H2O)2]}n (2), {[Co(H2bta)(azpy)(H2O)2]·azpy}n (3) and {[Co2(bta)(bpa)2(H2O)4]·8H2O}n (4) with H4bta = 1,2,4,5-benzenetetracarboxylic acid, 4,4′-bpy = 4,4′-bipyridine, bpe = trans-1,2-bis(4-pyridyl)ethene, azpy = 4,4′-azobispyridine and bpa = trans-1,2-bis(4-pyridyl)ethane, have been prepared and characterized by single crystal X-ray diffraction. Compounds 1–4 exhibit two-dimensional networks where the fully (1 and 4) or partially (2 and 3) deprotonated tetracarboxylic ligand connects two (2 and 3) or four (1 and 4) cobalt(II) ions through two trans-carboxylate (1–3) or all the carboxyla…

DenticityLigandInorganic chemistrychemistry.chemical_elementGeneral ChemistryCondensed Matter Physicschemistry.chemical_compoundCrystallographyDeprotonationchemistryOctahedronMoleculeGeneral Materials ScienceCarboxylateCobaltSingle crystalCrystEngComm
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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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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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Two-Dimensional 3d–4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)–Ln(III) Compounds

2014

Six new heterometallic cobalt(II)-lanthanide(III) complexes of formulas [Ln(bta)(H2O)2]2[Co(H2O) 6]·10H2O [Ln = Nd(III) (1) and Eu(III) (2)] and [Ln2Co(bta)2(H2O)8] n·6nH2O [Ln = Eu(III) (3), Sm(III) (4), Gd(III) (5), and Tb(III) (6)] (H4bta = 1,2,4,5-benzenetretracaboxylic acid) have been synthesized and characterized via single-crystal X-ray diffraction. 1 and 2 are isostructural compounds with a structure composed of anionic layers of [Ln(bta)(H2O)2]n n- sandwiching mononuclear [Co(H2O)6]2+ cations plus crystallization water molecules, which are interlinked by electrostatic forces and hydrogen bonds, leading to a supramolecular three-dimensional network. 3-6 are also isostructural compou…

LanthanideHydrogen bondSupramolecular chemistrychemistry.chemical_elementCrystal structurelaw.inventionInorganic ChemistryCrystallographychemistrylawMoleculePhysical and Theoretical ChemistryCrystallizationIsostructuralCobaltInorganic Chemistry
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Synthesis, crystal structure and magnetic properties of a new cyanide-bridged mixed-valence copper(I)/copper(II) clathrate

2013

A unique cyanide-bridge mixed-valence CuI/CuII clathrate of formula [CuI2(CN)3][{CuII(tren)}2(μ-CN)](CF3SO3)2 [tren = tris(2-aminoethyl)amine] containing cyanide-bridged [{CuII(tren)}2(μ-CN)]3 + binuclear cations stacked between anionic honeycomb layered copper(I) cyanide networks, was synthesized and structurally characterized by single crystal X-ray diffraction. Variable-temperature magnetic susceptibility studies showed that the cyanide bridge mediates a strong antiferromagnetic interaction between the copper(II) centers (J = − 160 cm− 1, the spin Hamiltonian being defined as H = − JSA⋅SB).

Cyanide bridgeMixed-valence copper(III) complexesValence (chemistry)Binuclear complexCyanideInorganic chemistrychemistry.chemical_elementCrystal structureMagnetic susceptibilityCopperInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryCrystal structuresMagnetic propertiesMaterials ChemistryAntiferromagnetismAmine gas treatingPhysical and Theoretical ChemistrySingle crystalInorganic Chemistry Communications
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Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal-organic frameworks (M = Ca, Sr and Ba)

2012

The use of the mononuclear copper(ii) complex, [Cu II(Me 2pma) 2] 2- (Me 2pma = N-2,6-dimethylphenyloxamate), as a bis(bidentate) metalloligand toward solvated alkaline earth metal cations affords a new series of oxamato-bridged heterobimetallic two-dimensional compounds with mixed square-octagonal [Ca II 2Cu II 3] or square [M II 2Cu II 3] (M = Sr and Ba) layered structures of (4·82) and (44·62) net topologies, respectively. © 2012 The Royal Society of Chemistry.

CrystallographyAlkaline earth metalDenticityMixed metalchemistryInorganic chemistrychemistry.chemical_elementGeneral Materials ScienceGeneral ChemistryCondensed Matter PhysicsCopperTopology (chemistry)CrystEngComm
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The construction of open GdIII metal–organic frameworks based on methanetriacetic acid: New objects with an old ligand

2010

11 páginas, 11 figuras, 2 esquemas.-- et al.

LanthanideGadoliniumchemistry.chemical_elementGadoliniumAcetatesCrystallography X-RayLigandsLanthanoid Series ElementsTopologyCatalysisMagnetic propertiesOrganometallic CompoundsMolecular StructureMetal–organic frameworksLigandOrganic ChemistryGeneral ChemistryTrigonal prismatic molecular geometryX-ray diffractionCrystallographychemistryOctahedronTripodal ligandX-ray crystallographyMetal-organic framework
researchProduct

CCDC 1030505: Experimental Crystal Structure Determination

2015

Related Article: Thais Grancha, Jesús Ferrando-Soria, Hong-Cai Zhou, Jorge Gascon, Beatriz Seoane, Jorge Pasán, Oscar Fabelo, Miguel Julve and Emilio Pardo|2015|Angew.Chem.,Int.Ed.|54|6521|doi:10.1002/anie.201501691

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexa-nickel bis(mu-24-bis([carboxylato(oxidanidyl)methylidene]amino)-135-trimethylbenzene)-tetra-aqua-di-copper bis(bis(24-bis([carboxylato(oxidanidyl)methylidene]amino)-135-trimethylbenzene)-diaqua-dicopper) nonahydrateExperimental 3D Coordinates
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CCDC 294297: Experimental Crystal Structure Determination

2016

Related Article: Fernando S. Delgado, Pablo Lorenzo-Luís, Jorge Pasán, Laura Cañadillas-Delgado, Oscar Fabelo, María Hernández-Molina, Antonio D. Lozano-Gorrín, Francesc Lloret, Miguel Julve, Catalina Ruiz-Pérez|2016|CrystEngComm|18|7831|doi:10.1039/C6CE01360K

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu-malonato)-(malonato)-penta-aqua-di-holmium dihydrate]Experimental 3D Coordinates
researchProduct

CCDC 983489: Experimental Crystal Structure Determination

2014

Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado, Juan Rodríguez-Carvajal, Francesc Lloret, Miguel Julve, and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|5674|doi:10.1021/ic500443t

Space GroupCrystallographycatena-(bis(mu6-Cyclobutane-1234-tetracarboxylato)-bis(mu2-aqua)-tetra-aqua-tetra-cobalt)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 941373: Experimental Crystal Structure Determination

2013

Related Article: Thais Grancha, Clarisse Tourbillon, Jesús Ferrando-Soria, Miguel Julve, Francesc Lloret, Jorge Pasán, Catalina Ruiz-Pérez, Oscar Fabelo, Emilio Pardo|2013|CrystEngComm|15|9312|doi:10.1039/C3CE41022F

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(S-NNN-Trimethyl-1-phenylethanaminium) bis(mu~4~-1-([carboxylato(oxidanidyl)methylidene]amino)-3-([carboxylato(oxidanidyl)methylidene]amino)benzene)-(mu~2~-oxalato)-diaqua-di-copper-di-manganese unknown solvate trihydrate]Experimental 3D Coordinates
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CCDC 294298: Experimental Crystal Structure Determination

2016

Related Article: Fernando S. Delgado, Pablo Lorenzo-Luís, Jorge Pasán, Laura Cañadillas-Delgado, Oscar Fabelo, María Hernández-Molina, Antonio D. Lozano-Gorrín, Francesc Lloret, Miguel Julve, Catalina Ruiz-Pérez|2016|CrystEngComm|18|7831|doi:10.1039/C6CE01360K

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu-malonato)-hexa-aqua-di-samarium]Experimental 3D Coordinates
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CCDC 1555659: Experimental Crystal Structure Determination

2017

Related Article: Marta Mon, Julia Vallejo, Jorge Pasán, Oscar Fabelo, Cyrille Train, Michel Verdaguer, Shin-ichi Ohkoshi, Hiroko Tokoro, Kosuke Nakagawa, Emilio Pardo|2017|Dalton Trans.|46|15130|doi:10.1039/C7DT03415F

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(octakis(imidazolium) octakis(mu-oxalato)-tetrakis(oxalato)-tetra-chromium-di-manganese monohydrate)Cell ParametersExperimental 3D Coordinates
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CCDC 919615: Experimental Crystal Structure Determination

2013

Related Article: Ana Belén Lago, Rosa Carballo, Oscar Fabelo, Nuria Fernández-Hermida, Francesc Lloret, Ezequiel M. Vázquez-López|2013|CrystEngComm|15|10550|doi:10.1039/C3CE41525B

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatescatena-((mu~2~-44'-Disulfanediyldipyridine)-(mu~2~-oxalato)-copper hexahydrate)
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CCDC 958829: Experimental Crystal Structure Determination

2014

Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Laura Cañadillas-Delgado, Jorge Pasán, Ana Labrador, Francesc Lloret, Miguel Julve, and Catalina Ruiz-Pérez|2013|Cryst.Growth Des.|13|4735|doi:10.1021/cg4008679

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu2-benzene-1245-tetracarboxylate)-hexacosakisaqua-tetra-copper-tetra-lanthanium icosahydrate]Experimental 3D Coordinates
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CCDC 958833: Experimental Crystal Structure Determination

2014

Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Laura Cañadillas-Delgado, Jorge Pasán, Ana Labrador, Francesc Lloret, Miguel Julve, and Catalina Ruiz-Pérez|2013|Cryst.Growth Des.|13|4735|doi:10.1021/cg4008679

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu2-benzene-1245-tetracarboxylate)-hexacosakisaqua-tetra-copper-tetra-samarium henicosahydrate]Experimental 3D Coordinates
researchProduct

CCDC 2106824: Experimental Crystal Structure Determination

2021

Related Article: Bele��n Lerma-Berlanga, Javier Castells-Gil, Carolina R. Ganivet, Neyvis Almora-Barrios, Javier Gonza��lez-Platas, Oscar Fabelo, Natalia M. Padial, Carlos Marti��-Gastaldo|2021|J.Am.Chem.Soc.|143|21195|doi:10.1021/jacs.1c09278

Space GroupCrystallographyCrystal Systemtetrakis(mu-[2-amino-14-phenylenebis(carbonylazanediyl)]bis(oxido))-tetrakis(mu-[14-phenylenebis(carbonylazanediyl)]bis(oxido))-tetrakis(mu-N1N4-dioxidobenzene-14-dicarboximidato)-octa-titanium(iv) NN-dimethylformamide solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 984262: Experimental Crystal Structure Determination

2014

Related Article: Pau Díaz-Gallifa, Oscar Fabelo, Jorge Pasán, Laura Cañadillas-Delgado , Francesc Lloret , Miguel Julve , and Catalina Ruiz-Pérez|2014|Inorg.Chem.|53|6299|doi:10.1021/ic5008582

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatescatena-(bis(mu-benzene-1245-tetracarboxylato)-octaaqua-cobalt(ii)-di-europium(iii) hexahydrate)
researchProduct

CCDC 1030506: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexa-cobalt bis(mu-24-bis([carboxylato(oxidanidyl)methylidene]amino)-135-trimethylbenzene)-tetra-aqua-di-copper bis(bis(24-bis([carboxylato(oxidanidyl)methylidene]amino)-135-trimethylbenzene)-diaqua-dicopper) dodecahydrateExperimental 3D Coordinates
researchProduct

CCDC 958838: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu4-benzene-1245-tetracarboxylate)-tetracosakisaqua-tetra-copper-tetra-samarium tetradecahydrate]Experimental 3D Coordinates
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CCDC 2106822: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(mu-[2-methoxy-14-phenylenebis(carbonylazanediyl)]bis(oxido))-bis(mu-[14-phenylenebis(carbonylazanediyl)]bis(oxido))-tetrakis(mu-N1N4-dioxidobenzene-14-dicarboximidato)-octa-titanium(iv) NN-dimethylformamide solvateExperimental 3D Coordinates
researchProduct

CCDC 937587: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu~3~-methylmalonato)-aqua-manganese]Experimental 3D Coordinates
researchProduct

CCDC 984263: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(bis(mu-benzene-1245-tetracarboxylato)-octaaqua-cobalt(ii)-di-samarium(iii) hexahydrate)Experimental 3D Coordinates
researchProduct

CCDC 919613: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal System(mu2-oxalato)-bis(4-([(pyridin-4-ylsulfanyl)methyl]sulfanyl)pyridinium)-dioxalato-di-copper(ii) dihydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 945084: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[hexakis(mu2-Formato)-iron(ii)-iron(iii)]Experimental 3D Coordinates
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CCDC 937589: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographycatena-[(mu~4~-diethylmalonato)-(mu~2~-aqua)-manganese]Crystal SystemCrystal StructureCell 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 984264: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(bis(mu-benzene-1245-tetracarboxylato)-octaaqua-cobalt(ii)-di-gadolinium(iii) hexahydrate)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 958834: Experimental Crystal Structure Determination

2014

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catena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu4-benzene-1245-tetracarboxylate)-tetracosakisaqua-tetra-copper-tetra-lanthanium hexadecahydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 937590: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[(mu~4~-butylmalonato)-aqua-manganese]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 958835: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systemcatena-[tetrakis(mu~6~-benzene-1245-tetracarboxylato)-(mu~4~-benzene-1245-tetracarboxylate)-tetracosakisaqua-tetra-copper-tetra-cerium hexadecahydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1030504: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal Systemhexa-magnesium bis(mu-24-bis([carboxylato(oxidanidyl)methylidene]amino)-135-trimethylbenzene)-tetra-aqua-di-copper bis(bis(24-bis([carboxylato(oxidanidyl)methylidene]amino)-135-trimethylbenzene)-diaqua-dicopper) hexahydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2023345: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographycatena-[tris(mu-44'-(1245-tetrazine-36-diyl)dibenzoato)-bis(mu-hydroxo)-bis(mu-oxido)-tri-zirconium]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 919614: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu2-oxalato)-tetrakis(44'-disulfanediyldipyridine)-di-copper hexahydrate]Experimental 3D Coordinates
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CCDC 1475076: Experimental Crystal Structure Determination

2016

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researchProduct

CCDC 937591: Experimental Crystal Structure Determination

2014

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researchProduct

CCDC 958832: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu2-benzene-1245-tetracarboxylate)-hexacosakisaqua-tetra-copper-tetra-neodymium docosahydrate]Experimental 3D Coordinates
researchProduct

CCDC 945083: Experimental Crystal Structure Determination

2013

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researchProduct

CCDC 937588: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systemcatena-[(mu4-dimethylmalonato)-aqua-manganese]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 294299: Experimental Crystal Structure Determination

2016

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researchProduct

CCDC 958831: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[tetrakis(mu~6~-benzene-1245-tetracarboxylato)-(mu~2~-benzene-1245-tetracarboxylate)-hexacosakis(aqua)-tetra-copper-tetra-praseodymium tetradecahydrate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 984260: Experimental Crystal Structure Determination

2014

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researchProduct

CCDC 903521: Experimental Crystal Structure Determination

2013

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researchProduct

CCDC 958836: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu~6~-benzene-1245-tetracarboxylato)-(mu~4~-benzene-1245-tetracarboxylate)-tetracosakisaqua-tetra-copper-tetra-praseodymium hexadecahydrate]Experimental 3D Coordinates
researchProduct

CCDC 903522: Experimental Crystal Structure Determination

2013

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researchProduct

CCDC 2106823: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal Systemoctakis(mu-[14-phenylenebis(carbonylazanediyl)]bis(oxido))-tetrakis(mu-N1N4-dioxidobenzene-14-dicarboximidato)-octa-titanium(iv) NN-dimethylformamide solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 952343: Experimental Crystal Structure Determination

2013

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researchProduct

CCDC 903520: Experimental Crystal Structure Determination

2013

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researchProduct

CCDC 1555658: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(octakis(imidazolium) octakis(mu-oxalato)-tetrakis(oxalato)-tetra-chromium-di-manganese monohydrate)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 984265: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographycatena-(bis(mu-benzene-1245-tetracarboxylato)-octaaqua-cobalt(ii)-di-terbium(iii) hexahydrate)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 903519: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-((mu2-22'-Bipyrimidine)-hexakis(mu2-cyano)-bis(nitrato)-tetrakis(110-phenanthroline)-decacyano-tetraaqua-di-gadolinium-tetra-iron acetonitrile solvate dihydrate)Experimental 3D Coordinates
researchProduct

CCDC 2023346: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu-11':4'1''-terphenyl-44''-dicarboxylato)-bis(mu-oxo)-bis(mu-hydroxy)-tri-zirconium]Experimental 3D Coordinates
researchProduct

CCDC 958837: Experimental Crystal Structure Determination

2014

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catena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu4-benzene-1245-tetracarboxylate)-tetracosakisaqua-tetra-copper-tetra-neodymium tetradecahydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 945082: Experimental Crystal Structure Determination

2013

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researchProduct

CCDC 984261: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(hexaaqua-cobalt(ii) bis((mu-benzene-1245-tetracarboxylato)-diaqua-europium(iii)) decahydrate)Experimental 3D Coordinates
researchProduct

CCDC 958830: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[tetrakis(mu6-benzene-1245-tetracarboxylato)-(mu2-benzene-1245-tetracarboxylate)-hexacosakisaqua-tetra-copper-tetra-cerium octadecahydrate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 919612: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu~4~-oxalato)-(mu~2~-oxalato)-(mu~2~-44'-(methanediyldisulfanediyl)dipyridine)-di-copper(ii)]Experimental 3D Coordinates
researchProduct