Search results for "coordination"

showing 10 items of 1282 documents

Exchange Coupling Mediated by N–H···Cl Hydrogen Bonds: Experimental and Theoretical Study of the Frustrated Magnetic System in Bis(o-phenylenediamine…

2012

The title compound crystallizes in the monoclinic P2(1)/c space group with a = 11.2470(3) A, b = 5.9034(2) A, c = 12.0886(3) A, β = 115.143(1)°, and V = 726.58(4) A(3) and consists of discrete monomeric NiCl(2)(o-phenylendiamine)(2) molecules. Each o-phen ligand coordinates in a bidentate mode with the chloride ions occupying trans positions in the resulting tetragonally distorted octahedral coordination sphere. Two discrete sets of N-H···Cl hydrogen bonds link the octahedral molecules into a two-dimensional network, with type 1 interactions linking adjacent monomers along the c axis and type 2 interactions linking monomers along the diagonals in the bc plane. Analysis of the magnetic data …

DenticityCoordination sphereHydrogen bondStereochemistryZero field splittingInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronchemistryMoleculeAntiferromagnetismPhysical and Theoretical ChemistryNickel(II) chlorideInorganic Chemistry
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Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine

2012

The preparation and crystal structures of six new copper(II) compounds of formula [Cu(dppn)2(ClO4)]ClO4 (1), [Cu2(dppn)(OH)(ClO4)3(H2O)3]·H2O (2), [Cu2(dppn)2(H2O)2](ClO4)4 (3), [Cu2(dppn)2(ClO4)4] (4), {[Cu2(dppn)(N3)4]·H2O/[Cu2(dppn)(N3)4(H2O)]}n (5) and {[Cu2(dppn)(OH)(dca)3]·H2O}n (6) [dppn = 3,6-bis(2′-pyridyl)pyridazine and dca = dicyanamide] are reported. 1 is a mononuclear complex where two bidentate dppn molecules and a monodentate perchlorate build an intermediate square pyramidal/trigonal bipyramidal (sp/tbp) five-coordinate environment around the copper(II) ion, the overall positive charge being balanced by a free perchlorate anion. 2–4 are dinuclear complexes with either one (2…

DenticityCoordination sphereStereochemistryGeneral ChemistryCrystal structureCondensed Matter PhysicsSquare pyramidal molecular geometryPyridazinePerchloratechemistry.chemical_compoundTrigonal bipyramidal molecular geometryCrystallographychemistryGeneral Materials ScienceDicyanamideCrystal Growth & Design
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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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Copper(II)-phenylmalonate complexes with the bifunctional ligands nicotinamide and isonicotinamide

2011

Abstract The use as coligands of the nicotinamide (nia) and isonicotinamide (inia) molecules in the complex formation between copper(II) and phenylmalonate [Phmal = dianion of phenylmalonic acid] yielded the compounds of formula [Cu(inia)(Phmal)(H2O)] (1) and [Cu(inia)(Phmal)(H2O)]n (2). Although single crystals of 1 of appropriate size were grown, their unresolved twinning and space group ambiguity prevented a satisfactory X-ray structure determination. The crystal structure 2 consists of corrugated layers of copper(II) ions with intralayer carboxylate–phenylmalonate bridges in the anti-syn (equatorial-apical) coordination mode. A water molecule and the isonicotinamide group are coordinate…

DenticityLigandCoordination polymerchemistry.chemical_elementCrystal structureCrystal engineeringCopperInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryIsonicotinamidePhysical and Theoretical ChemistryIsostructuralPolyhedron
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High-dimensional mixed-valence copper cyanide complexes: Syntheses, structural characterizations and magnetism

2009

International audience; Reactions of CuCl 2 with different CN complexes in presence of a neutral ancillary ligand lead to two novel mixed-valence Cu complexes [Cu II (bpy)Cu I (CN) 3 ] n , 1 (bpy=2,2′-bipyridine) and {[Cu II (tn) 2 ][Cu I 4 (CN) 6 ]} n 2 (tn=1,3-diaminopropane). For compound 1, the asymmetric unit involves two Cu ions Cu1 and Cu2 (Cu I and Cu II centres, respectively) which strongly differ in their environments. The Cu1 ion presents a CuC 4 pseudo-tetrahedral geometry, while the Cu2 ion presents a CuN 5 slightly distorted square-pyramidal geometry. The extended structure of 1 is generated by three cyano ligands which differ in their coordination modes. One CN group has a μ …

DenticityMagnetismInorganic chemistrychemistry.chemical_element[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesCoordination modesIonInorganic ChemistryParamagnetismMagnetic propertiesMaterials ChemistryMixed-valence[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryValence (chemistry)Bridging ligands010405 organic chemistryLigand[CHIM.ORGA]Chemical Sciences/Organic chemistryCopper0104 chemical sciencesCrystallographyCopper cyanideschemistryCN-group
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Inverted molecular cups: 1-D and 2-D Ag(I) coordination polymers from resorcinarene bis-thiacrowns

2016

Resorcinarene bis-thiacrown hosts 1–3 were prepared and crystallized with silver trifluoroacetate yielding one and two dimensional Ag coordination polymers. The complexation of silver in exo-cavity fashion folds the thiacrown bridges inwards transforming the resorcinarene hosts into inverted molecular cups. The silver cations were coordinated to the resorcinarene ligands and trifluoroacetate anions, which act as monodentate or bidendate bridging ligands between the metal ions. Argentophilic Ag⋯Ag (2.93–3.38 A) interactions supported by two bridging carboxylate anions were found in two of the structures, whereas longer Ag⋯Ag distances were observed if only one anion connected the silver cati…

DenticityMetal ions in aqueous solutionInorganic chemistry010402 general chemistry01 natural sciencesMetalchemistry.chemical_compoundresorcinarenesGeneral Materials ScienceCarboxylateta116Alkylchemistry.chemical_classification010405 organic chemistryGeneral ChemistryPolymerResorcinareneCondensed Matter Physics0104 chemical sciencesSolventCrystallographycoordination polymerschemistryvisual_artvisual_art.visual_art_mediummacrocyclic ligandsCrystEngComm
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DNA-binding of nickel(II), copper(II) and zinc(II) complexes: structure-affinity relationships

2013

Abstract Nickel(II), copper(II) and zinc(II) complexes with the same ligands normally display analogous coordination geometry and binding mode toward DNA. However, although qualitatively alike in structure and properties, different DNA-binding ability has often been observed. This review surveys the most recent examples of binding of the three metal ions complexed with monodentate and chelating bidentate to tetradentate ligands to DNA. An attempt has also been made to rationalize the observed trend in the values of the intrinsic DNA-binding constant, Kb, in terms of structural and chemical features.

DenticityMetal ions in aqueous solutionInorganic chemistryBinding constantchemistry.chemical_elementZincDNABinding constantCopperSettore CHIM/08 - Chimica FarmaceuticaInorganic ChemistryNickelCrystallographyZincchemistryNickelSettore CHIM/03 - Chimica Generale E InorganicaMaterials ChemistryChelationPhysical and Theoretical ChemistryCopperCoordination geometry
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Three one-dimensional systems with end-to-end dicyanamide bridges between copper(ii) centres: structural and magnetic properties

2002

The preparation, crystal structures and magnetic properties of three different copper(II) chains of formula [Cu(pyim)(H2O)(dca)]n(NO3)n (1), [Cu(dpa)(dca)2]n (2) and [Cu(bpa)(dca)2]n (3) [pyim = 2-(2-pyridyl)imidazole, dca = dicyanamide anion, dpa = 2,2′-dipyridylamine and bpa = 1,2-bis(4-pyridyl)ethane] are reported. A chain structure with single, symmetrical, end-to-end dca bridges is found in compound 1. This bridging mode, with two short, equatorially coordinated Cu–N bonds has not been previously observed in the [Cu(dca)Xn] (X = coligand) family of compounds. The copper atom in 1 has a distorted square pyramidal geometry with a bidentate pyim ligand and two nitrile nitrogen atoms from …

DenticityNitrileStereochemistryChemistrychemistry.chemical_elementGeneral ChemistryCrystal structureCopperSquare pyramidal molecular geometrychemistry.chemical_compoundCrystallographyImidazoleDicyanamideCoordination geometryJournal of the Chemical Society, Dalton Transactions
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Copper(II) complexes with 2,5-bis(2-pyridyl)pyrazine and 1,1,3,3-tetracyano-2-ethoxypropenide anion: Syntheses, crystal structures and magnetic prope…

2009

International audience; The copper(II) complexes of formula [Cu2(2,5-dpp)(H2O)4(CF3SO3)4] · 2H2O (1) and [Cu2(2,5-dpp)(H2O)2(tcnoet)4]n (2) [2,5-dpp = 2,5-bis(2-pyridyl)pyrazine and tcnoet− = 1,1,3,3-tetracyano-2-ethoxypropenide anion] have been prepared and their structures determined by X-ray crystallographic methods. Compound 1 is a dinuclear complex where the 2,5-dpp molecule acts as a bis-bidentate bridge between the two copper centers, the electroneutrality being achieved by four terminally bound triflate anions. Each copper(II) ion presents an elongated octahedral CuN2O4 environment with two nitrogen atoms from 2,5-dpp and two water molecules in the basal plane and two triflate-oxyge…

DenticityPyrazineInorganic chemistry2chemistry.chemical_elementCrystal structure[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesCoordination complexInorganic Chemistrychemistry.chemical_compoundMaterials Chemistry[CHIM]Chemical SciencesMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistry5-Bis(2-pyridyl)pyrazinechemistry.chemical_classification010405 organic chemistryMagnetismCopperCoordination chemistry0104 chemical sciencesPolynitrileCrystallographyCopper(II)chemistryOctahedronTrifluoromethanesulfonatePolyhedron
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Preparation and structural characterization of Ph3Sn(IV)+ complexes with pyridinecarboxylic acids or hydroxypyridene, -pyrimidine and –quinoline.

2006

A number of [Ph3Sn(IV)](+) complexes formed with ligands containing -OH (-C=O), or -COOH group(s) and aromatic IN) donor atom have been prepared. The binding sites of the ligands were identified by FT-IR spectroscopic measurements. In the complexes containing hydroxy and carboxylate functions, the carboxylato group is coordinated to the organotin(IV) centres in monodentate or bridging bidentate manner. It was also found that in the hydroxypyridine and -pyrimidine complexes the [Ph3Sn(IV)]+ moiety in most cases reacts with the phenolic form of the ligands. The rationalisation of the experimental Sn-119 Mossbauer nuclear quadrupole splittings, vertical bar Delta(exp)vertical bar - according t…

DenticityPyrimidineStereochemistrytriphenyltin(IV)BiochemistryMedicinal chemistryInorganic ChemistryMossbauerchemistry.chemical_compound2-HYDROXYPYRIDINEPyridineMaterials ChemistryMoietyCarboxylatePhysical and Theoretical ChemistryCOORDINATIONDERIVATIVESOrganic ChemistryQuinolineX-ray diffraction DICARBOXYLIC-ACIDShydroxypyridine -pyrimidine and pyridinecarboxylato complexeFT-IRTrigonal bipyramidal molecular geometryOctahedronchemistryLIGANDS
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