Synthesis and Crystal Structure of a Novel Binuclear Copper(Ⅱ)Complex,[Cu(paba)C1]

A novel binuclear Cu(Ⅱ)complex[Cu(paba)C1](pabaH=2-(2-pyridylmethylimine)benzenesulfonic acid)has been synthesized and characterized by elemental analysis,IR andsingle-crystal X-ray diffraction.The crystal of the title complex crystallizes in a monoclinie system,space group P21/n,with a=6.8165(7),b=15.3073(16),c=12.3795(13)(A),β=95.0160(10)°,V=1286.8(2)(A)3,Mr=360.26,Dc=1.860 g/cm3,μ=2.074 mm-1,F(000)=724,Z=4,the final R=0.0252 and wR=0.0675 for 2395 observed reflections with I＞2σ(I).The title complex is centrosymmetric and a pair of chlorides act as μ2-bridges to link two Cu(Ⅱ)ions forming a binuclear complex.Every Cu(Ⅱ)ion is five-coordinated by pyridyl N,imine N and sulfonate O atoms of the tridentate paba ligand as well as two bridging Cl-,constructing the distorted square-pyramidal geometry.In the structure extensive hydrogen bonds and weak π-π stacking stabilize the solid structures,through which the complex builds its 3-dimensional supramolecular structure.     

Synthesis and Crystal Structure of a Dinuclear Complex: Bis[aqua(phen)(4-aba)copper(Ⅱ)nitrate(4-abaH)dihydrate]

The title complex has been obtained by the reaction of copper nitrate trihydrate with 4-abaH (4-abaH = 4-aminobenzonic acid) and phenanthroline in ethanol solution,and its structure was determined by X-ray crystallography with the following data: monoclinic,space group C2/c, Mr = 1266.13, Cu2C52H54N10O20, a = 25.884(5), b = 10.205(2), c = 20.849(4)(A), β= 106.34(3)°, Z = 4, V= 5284.7(18) (A)3, F(000) = 2616, Dc = 1.591 g/cm3, μ = 0.896 mm-1,the final R = 0.0441 and wR = 0.1148 for 4200 observed reflections (I ＞ 2σ(I)). In the molecule of the title complex, the asymmetric unit contains one half molecule. The Cu(Ⅱ) atom is five-coordinated by a terminal water molecule, a bidentate phenanthroline and two monodentate 4-aminobenzoate ligands forming a square pyramidal coordination environment. The two bridging 4-aminobenzoate ligands result in a dinuclear copper(Ⅱ) cluster with a short Cu-Cu distance (3.048 (A)) and a π-πstacking between the adjacent phenanthroline rings (2.96 (A)).     

Hydrothermal Synthesis, Crystal Structure and Magnetic Property of a Novel Pentanuclear Copper(Ⅱ) Complex: [Cu5(SIP)2(HSIP)2(H2O)18](H2O)5

The pentanuclear complex, [Cu5(SIP)2(HSIP)2(H2O)18](H2O)5 (H3SIP=5-sulfoi-sophthalic acid), has been synthesized by the hydrothermal reaction of CuCl2 with NaH2SIP at 160 ℃, and characterized by single-crystal X-ray diffraction and IR spectrum. The crystal of the complex crystallizes in a trielinic system, space group P1, with a = 7.0018(5), b = 11.9725(8), c = 19.0424(13) A, α = 78.8540(10), β = 85.1710(10),γ = 83.6080(10)~, V = 1553.24(19) A3, Z = 1, C32H60O51S4Cu5, Mr= 1706.74, Dc= 1.825 g/cm3,μ = 1.937 mm-1, F(000) = 869, the final R = 0.0709 and wR = 0.1503 for 4235 observed reflections with I > 2σ(I). The five Cu2+ ions are connected by two symmetry-related tridentate SIP3- ligands and charge-balanced by two monodentate HSIP2- ligands, giving a discrete pentanuclear structure. The pentanuclear copper molecules are linked by hydrogen bonds to form a three-dimensional supramolecular structure. The temperature-dependent magnetic susceptibility data revealed weak ferromagnetic magnetic interactions between the Cu2+ ions.     

单核铜配合物Cu(C_(16)H_(13)N_2OS_2)_2的合成、晶体结构和生物活性(英文)

A planar copper complex Cu(L)2,HL=(E)-benzyl-2-(4-formylbenzylidene)-Hydrazinecarbodithioate,has been prepared via the template effect of copper ion. Crystal structure of the complex was determined by X-ray singlecrystal diffraction analysis. The crystal data for this complex:Orthorhombic,space group Pbcn,a=2.250 0(14) nm,b=1.660 0(11) nm,c=0.830 4(5) nm,V=3.102(3) nm3,Z=4,μ=1.011 mm-1,Dc=1.478 g·cm-3,F(000)=1 420,R1= 0.050 1,wR2=0.087 2 (observed reflections with I2σ(I)) and R1=0.129 1,wR2=0.100 9 (all reflections) GOF= 1.011. In the compound,Cu(Ⅱ) atom is four-coordinated with two N atoms and two S atoms from two bidentate ligands and located in the inversion center. The preliminary bioassay indicates that the complex exhibits distinct antitumor activity.     

Synthesis and Crystal Structure of a New Mononuclear Copper(Ⅱ)Complex with 4,4',6,6'-Tetrabromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol

A new mononuclear Cu(Ⅱ)complex,[Cu(L)](H2L=4,4',6,6'tetrabromo-2,2'-[ethylenedioxybis(nitrilomethylidyne)]diphenol),has been synthesized and structurally characteri-zed.X-ray crystal stucture of the complex reveals that the Cu(Ⅱ)ion is four-coordinated by two oxygen atoms and two nitrogen atoms from L2-unit.Crystallographic data:monoclinic,space group P21/n with a=14.076(2),b=6.9801(14),c=19.858(2)(A),β=107.613(2)°,C16H10Br4CuN2O4,Mr =677.44,V=1859.6(5)(A)3,Dc=2.420 g/cm3,μ=9.796 mm-1,F(000)=1284,Z=4,the final R=0.0516 and wR=0.0938 for 1879 observed reflections with I＞20(I).The dihedral angel between the two coordination planes of Cu(1)-N(2)-O(4)and Cu(1)-N(1)-O(3))is 30.08(6)°.     

Synthesis,Crystal Structure and DNA-binding Properties of a New Copper（Ⅱ） Schiff Base Complex

A new asymmetric bidentate copper(Ⅱ) complex,CuL 2(HL=2-((E)-(4-bromophenylimino)methyl)-6-bromo-4-chlorophenol),has been synthesized and characterized by elemental analyses and single-crystal X-ray diffraction.The complex crystallizes in the monoclinic space group P2 1 /c with a=11.218(3),b=9.355(3),c=13.449(4),β=108.722(4)°,V=1336.8(6)3,Z=2,Dc=2.008 g/cm 3,μ(MoKα)=7.024 mm-1,F(000)=806,S=0.999,the final R=0.0342 and wR=0.0641for2611observed reflections (I>2σ(I)).The central copper(Ⅱ) is four-coordinate and bonds to two nitrogen and two oxygen atoms from two Schiff base ligands.The complex is linked into a two-dimensional supramolecular structure by weak intermolecular interactions.In addition,DNA-binding properties of the metal complex were investigated using spectrometric titrations and viscosity measurements.The results show that the complex binds with calf-thymus DNA(CT-DNA),presumably via a partial intercalative mode.The intrinsic binding constant of the Cu(Ⅱ) complex with DNA is 7.335×10 3 M-1.     

Synthesis and Crystal Structure of the Copper(Ⅱ) Complex with 1,10-Phenanthroline-5,6-dione

<正>The complex Cu(phon)(NO3)2(CH3CN) (phon = 1,10-phenanthroline-5,6-dione) has been synthesized and characterized by elemental analysis, infrared and UV-Vis spectra. X-ray diffraction analysis at room temperature indicates that the complex crystallizes in orthorhombic system, space group P212121 with a = 8.353(1), b = 11.299(2), c = 17.764(2) A, V= 1676.5(4) A3, Z = 4, C14H9CuN5O8, Mr = 438.8, Dc = 1.739 g/cm3, F(000) = 884 and μ(MoKα) = 1.361 mm-1. The final R and wR factors for the observed reflections with I > 2σ(I) are 0.0353 and 0.0855, respectively. R = 0.0432 and wR = 0.0899 for all data. The structure of the title complex consists of a neutral mononuclear entity. The central Cu (II) atom is five-coordinated by two nitrogen donors of one ligand, two unidentate NO3- ions and one CH3CN molecule. The coordination geometry of Cu (II) can be considered as a distorted trigonal bipyramidal configuration. The complex ability of the NO3-ion has more effect than that of the ClO4- ion on the structure of th     

Synthesis and crystal structure of a new polpouclear complex with a monomer of (3,4,9,10-dibenzo-1, 12-diaza-5, 8-dioxacyclopentadecane)-copper(Ⅱ) (μ-Cl)_2 zinc(Ⅱ) chloride

A polynuclear complex containing a monomer of Cu(Ⅱ)-Zn(Ⅱ) heterobinuclear unitwas synthesized and characterized by IR spectra and magnetic moment. The crystal and molecularstructure of the complex, CuZnC_(19)H_(24)Cl_4N_2O_2, was determined by X-ray diffraction, it crystallizedin monoclinic, P2_1 / m, a = 8.812 (2), b = 15.972(3), c = 8.831(1) A, β = 114.33(1)°, V = 1132.4A~3,Z=2, D_c= 1.710 g / cm~3, λ(Mo K_α) = 0.71073A, μ = 25.227 cm~(-1), R = 0.051. R_w = 0.063 for 1130 ob-served reflections with I> 3σ(I) . The coordinated octahedra of Cu(Ⅱ) and tetrahedra of Zn(Ⅱ) viabridging Cl atoms form a single chain polynuclear complex. The Cu, Zn and bridging Cl atoms arelocated on the crystallographic symmetry plane m which is perpendicular to 2N and 2O donor plane.     

Synthesis and Crystal Structure of 2,4-Diiodo-6-[(2-morpholin-4-yl-ethylimino)-methyl]-phenol-copper(Ⅱ)

2,4-Diiodo-6-[(2-morpholin-4-yl-ethylimino)-methyl]-phenol-copper(Ⅱ) has been designed and synthesized.The structure was determined by UV,IR and single-crystal X-ray study.The title complex crystallizes in the triclinic system,space group P1 with a=6.6090(13),b=10.377(2),c=12.550(3),α=113.29(3),β=93.84(3),γ=98.31(3)°,V=774.9(3)3,Dc=2.215g/cm3,C26H30CuO4N4I4,Mr=1033.68,F(000)=487,μ=4.726 mm-1,Z=1,the final R=0.0563 and wR=0.1475 for 2101 observed reflections(I2σ(I)).The central copper(Ⅱ) is four-coordinated by two nitrogen atoms and two oxygen atoms from two 3,5-diiodosalicylaldehyde-2-morpholinoethylamine Schiff bases.The complex is linked into a column by π-π stacking interaction.The complex was assayed for antibacterial activities against three Gram positive bacterial strains(B.subtilis,S.aureus and S.faecalis) and three Gram negative bacterial strains(E.coli,P.aeruginosa and E.cloacae) by MTT method.Fortunately,the title complex shows potent antibacterial activity against these six bacterial strains.     

Direct Electrochemical Synthesis and Crystal Structure of a New Mononuclear Copper(Ⅱ) Complex: [(bipy)_2Cu(PhCOO)]ClO_4·(benzil) (benzil = 1,2-Diphenyl-ethane-1,2-dione)

A new mononuclear copper(Ⅱ) complex [(bipy)2Cu(PhCOO)]ClO4·(benzil) (bipy = 2,2′-bipyridine, benzil = 1,2-diphenyl-ethane-1,2-dione) was synthesized by direct electrochemical oxidation of Cu electrode in an acetonitrile solution with benzoic acid, 2,2′-bipyridine and benzoin. As soon as the current flowed in the cell, benzoin was oxidized to benzil quickly. The crystal structure was determined by X-ray diffraction. It belongs to monoclinic system, space group P21/c with a = 14.860(2), b = 20.784(3), c = 11.9150(17) , β = 101.401(3)°, V = 3607.3(9) 3, Z = 4, Mr = 806.69, Dc = 1.485 g/cm3, F(000) = 1660, μ = 0.742 mm-1, R = 0.0788 and wR = 0.1519 for 6254 observed reflections (I > 2σ(I)). The complex contains a mononuclear [(bipy)2Cu(PhCOO)]+ cation, a solvate benzil molecule and a ClO4- anion which locates around the cation outside acting as the counter ion. The Cu(Ⅱ) ion is coordinated by two 2,2′-bipyridines and one benzoato ligand to form a distorted square-pyramid.     

Synthesis, structure and characterization of the trinuclear copper (Ⅰ) complex [Cu_3(μ_3Br)_2(dppm)_3]Br

The novel trinuelear copper(I) complex [Cu3(μ3-Br)2(dppm)3]Br has been obtained by reaction of bis(diphenyl-phosphino)methane (dppm) with cupric bromide. The title complex was characterized by single-crystal X-ray analysis, elemental analysis, molecular weight determination, 31P NMR and its conductivity was also measured. The [Cu3(dppm)3Br2] cation consists of a triangular array of copper atoms, with dppm ligands (Ph2PCH2PPh2) bridging each edge of the triangle and two triply bridging Br groups bound to the two faces of the Cu3 unit. Crystallographic data: monoclinic, space group P21/c, a = 1.4739(4) , b = 1.7708(5), c = 2.8395(8) nm, β= 97.16(3)°, V = 7.353nm3, Z = 4,F(000)= 3296, Dcalc = 1.472 g/cm3, μ= 26.478 cm-1, R = 0.06, Rw = 0.08, 4654 reflections observed with I > 3σ(I).     

Synthesis and Crystal Structure of Complex {[Cu(N-men)_2(cda)_2]·[Cu(N-men)_2]·(ClO_4)_2}(N-men=N-Methylethylenediamine,cda=Carbamyldicyanomethanide Anion)

<正>Mononuclear complex {[Cu(N-men)2(cda)2]·[Cu(N-men)2]-(ClO4)2} was synthesized by sodium carbamyldicyanomethanide Na(cda), N-methylethylenediamine and hydrate copper perchlorate. The crystal belongs to the triclinic system, space group P 1 with a = 7.229(2), b = 8.114(2), c = 15.936(4) A, α = 80.511(4), β = 78.993(4), r= 72.118(4)°, V = 867.6(3) A3, Z = 1, C20H44Cl2Cu2N14O10, Mr = 838.68, Dc = 1.605 g/cm3, F(000) = 434 and μ = 1.449 mm-1. The structure was refined to R = 0.0480 and wR = 0.1289 for 2503 observed reflections (I > 2σ(I)). In the complex there exist two kinds of coordination models for Cu (II) ions. One is that the Cu (II) ion is coordinated by four nitrogen atoms which are from two N-men molecules, and a slightly distorted square planar coordinate environment is formed around the Cu (II) ion; the other is that the Cu (II) ion is coordinated by six nitrogen atoms, of which four are from two N-men molecules and the left from nitrile groups, resulting in a distorted octahedron around the     

Synthesis,Crystal Structure and Property of a Binuclear Copper Complex [Cu_2L_2(pht)_2]_2·H_2O

A new binuclear copper complex, [Cu2L2(pht)2]2·H2O(Hpht = 5,5-diphenylhydantoin, i.e. phenytoin; L = 2-diethylaminoethanol), has been synthesized by the solvothermal method, and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group C2/c with a = 31.918(3), b = 12.9222(15), c = 19.868(2) , β = 98.762(2)o, V = 8098.8(16) 3, Dc = 1.429 Mg/m3, Z = 4, F(000) = 3640, μ = 1.107 mm-1, R = 0.0560 and wR = 0.1276(I 2(I)). Each copper(Ⅱ) in a molecule is coordinated with N and O atoms from ligand L and N atom from ligand Hpht in a tetradentate manner. Moreover, two copper(Ⅱ) centers are bridged by two O atoms of hydroxyl groups from two L ligands to form a slightly distorted binuclear {Cu2O2} diamond configuration. In addition, the interaction of this complex with calf thymus DNA(CT-DNA) was investigated by UV-vis spectrum and viscometry, and the complex may bind to DNA through intercalation.     

四(4-乙烯基吡啶)硝酸铜(Ⅰ)配合物的结构、电化学和热稳定性能研究(英文)

The title complex Cu(Vpy)NO3 (Vpy=4-vinylpyridine) has been synthesized and structurally characterized by X-ray single crystal diffractometry. The complex crystallizes in triclinic system, P1 space group with the cell parameters of a=1.004 2(2) nm, b=1.631 7(3) nm, c=1.887 7(4) nm, α=81.54(2)°, β=77.44(2)°, γ=79.39(2)°, V= 2.948 9(11) nm3, Z=4, and Dc=1.230 g·cm-3, the final R1=0.075 2, wR2=0.139 1. The complex crystallizes with two molecules in the asymmetric unit. Each Cu(Ⅰ) ion is coordinated by four N atom from the Vpy ligands and one O atoms from the nitrate anion, resulted in a square pyramidal geometry. The electrochemical studies reveal that redox of Cu2+/Cu+ in the complex is a quasi-reversible process. CCDC: 736638.     

Synthesis and Crystal Structure of a Dinuclear Complex： Bis[aqua（phen）（4- aba）copper（Ⅱ）nitrate（4-abaH）dihydrate]

The title complex has been obtained by the reaction of copper nitrate tri-hydrate with 4-abaH (4-abaH=4-aminobenzonic acid) and phenanthroline in ethanol solution,and its structure was determined by X-ray crystallography with the following data: monoclinic,space group C2/c,Mr=1266.13,Cu2C52H54N10O20,a=25.884(5),b=10.205(2),c=20.849(4) ,β=106.34(3)°,Z=4,V=5284.7(18) 3,F(000)=2616,Dc=1.591 g/cm3,μ=0.896 mm-1,the final R=0.0441 and wR=0.1148 for 4200 observed reflections (I > 2σ(I)). In the molecule of the title complex,the asymmetric unit contains one half molecule. The Cu(Ⅱ) atom is five-coordinated by a terminal water molecule,a bidentate phenanthroline and two monodentate 4-aminobenzoate ligands forming a square pyramidal coordination environment. The two bridging 4-aminobenzoate ligands result in a dinuclear copper(Ⅱ) cluster with a short Cu–Cu distance (3.048 ) and a π-π stacking between the adjacent phenanthroline rings (2.96 ).     

Synthesis, Crystal Structure and Ferromagnetic Properties of a New Dicyanamide Bridged Dicopper(Ⅱ) Complex with IM-1'-MeBzIm-κ2 N, O Mode

A new dinuclear copper(Ⅱ) complex with imino nitroxide radicals [Cu2(NO3)2(IM-1'-MeBzlm)2(dca)2] (IM-1'-MeBzlm = 2-{2'-[(1'-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimi-dazoline-1-oxyl, dca = dicyanamide anion) has been prepared and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in triclinie, space group P1, with a =9.440(5), b = 10.124(6), c = 11.603(7)(A°), α= 102.904(7),β = 94.033(6), γ= 104.299(7)°,C34H40Cu2N16O8, Mr= 927.90, V= 1038.2(10) (A°)3, Z = 1, Dc=1.484 g/cm3,μ(MoKα) = 1.093 mm-1,F(000) = 478, R = 0.0609 and wR = 0.1512 for 2889 observed reflections with I > 2σ(I). X-ray analysis reveals that two Cu(Ⅱ) atoms are bridged by two dicyanamides to form a centrosymmetric Cu(Ⅱ)-Cu(Ⅱ) dinuclear entity. Every Cu(Ⅱ) ion is five-coordinated with a distorted square pyramidal coordination geometry and IM-1'-MeBzlm ligand coordinates to the metal ion with the κ2 N(1'-MeBzlm), O(IM) mode to avoid steric hindrance with the methyl group in the complex. Meanwhile, the molecules are linked by intermolecular hydrogen bonds, leading to a 1-D chain structure. Moreover, such chains are further linked by π-π stacking interactions to form a 2-D network structure. Magnetic measurement demonstrates that the intramolecular exchange couplings between Cu(Ⅱ) ion and the IM-1'-MeBzlm are ferromagnetic with J = 12.46 cm-1, where the spin Hamitonian is defined as H= -2JS1S2 within the complex.     

Synthesis,Crystal Structure and Ferromagnetic Properties of a New Dicyanamide Bridged Dicopper(Ⅱ) Complex with IM-1′-MeBzIm-κ2 N,O Mode

A new dinuclear copper(Ⅱ) complex with imino nitroxide radicals [Cu2(NO3)2(IM-1′-MeBzIm)2(dca)2] (IM-1′-MeBzIm = 2-{2′-[(l′-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimi-dazoline-1-oxyl, dca = dicyanamide anion) has been prepared and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in triclinic, space group P1, with a = 9.440(5), b = 10.124(6), c = 11.603(7), α = 102.904(7), β = 94.033(6), γ = 104.299(7)°, C34H40Cu2N16O8, Mr = 927.90, V = 1038.2(10) 3, Z = 1, Dc = 1.484 g/cm3, μ(MoKα) = 1.093 mm-1, F(000) = 478, R = 0.0609 and wR = 0.1512 for 2889 observed reflections with I > 2σ(I). X-ray analysis reveals that two Cu(Ⅱ) atoms are bridged by two dicyanamides to form a centrosymmetric Cu(Ⅱ)-Cu(Ⅱ) dinuclear entity. Every Cu(Ⅱ) ion is five-coordinated with a distorted square pyramidal coordination geometry and IM-1′-MeBzIm ligand coordinates to the metal ion with the κ2 N(1′-MeBzIm), O(IM) mode to avoid steric hindrance with the methyl group in the complex. Meanwhile, the molecules are linked by intermolecular hydrogen bonds, leading to a 1-D chain structure. Moreover, such chains are further linked by π-π stacking interactions to form a 2-D network structure. Magnetic measurement demonstrates that the intramolecular exchange couplings between Cu(Ⅱ) ion and the IM-1′-MeBzIm are ferromagnetic with J = 12.46 cm-1, where the spin Hamitonian is defined as■ = -2J12 within the complex.     

Direct Electrochemical Synthesis and Crystal Structure of a New Mononuclear Copper(Ⅱ) Complex: [(bipy)2Cu(PhCOO)]ClO4·(benzil) (benzil = 1,2-Diphenyl-ethane-1,2-dione)

A new mononuclear copper(Ⅱ) complex [(bipy)2Cu(PhCOO)]ClO4·(benzil) (bipy=2,2'-bipyridine, benzil=1,2-diphenyl-ethane-1,2-dione) was synthesized by direct electrochemical oxidation of Cu electrode in an acetonitrile solution with benzoic acid, 2,2'-bipyridine and benzoin. As soon as the current flowed in the cell, benzoin was oxidized to benzil quickly. The crystal structure was determined by X-ray diffraction. It belongs to monoclinic system, space group P21/c with a=14.860(2), b=20.784(3), c=11.9150(17) (A), β=101.401(3)°, V=3607.3(9) (A)3, Z=4, Mr=806.69, Dc=1.485 g/cm3, F(000)=1660, μ=0.742 mm-1, R=0.0788 and wR=0.1519 for 6254 observed reflections (Ⅰ ＞ 2σ(Ⅰ)). The complex contains a mononuclear [(bipy)2Cu(PhCOO)] cation, a solvate benzil molecule and a ClO4- anion which locates around the cation outside acting as the counter ion. The Cu(Ⅱ) ion is coordinated by two 2,2'-bipyridines and one benzoato ligand to form a distorted square-pyramid.     

Synthesis and crystal structure of dinuclear nickel (Ⅱ) complex

The crystal structure of Ni(Ⅱ) complex with 3-hydroxyl-1, 5-diazacycloheptane-N, N'-diacetate was determined by X-ray diffraction method. Crystal data for Ni2 (C9H14N2O5)2·2H2O: monoclinic, space group P21/n, a = 1.1717(5), b = 0.9794(3), c = 1.2971(2) nm, β= 96.62(3), V= 1.4786(7) nm3, Dc = 1.377 g/cm3, Z = 2,μ=13.321 cm-1 (Mo-Kα), F(000)=640. The final R and Rw are 0.075 and 0.089 respectively. The Ni(Ⅱ) ion forms 2:2 complex with ligand. Two ligands are bridged by two Ni(Ⅱ) atoms which are bridged by two O atoms. Every Ni(Ⅱ) is coordinated by two N atoms and four 0 atoms. The coordination polyhedron of the Ni(Ⅱ) ion is a distorted octahedron.     

杂-双核配合物[CaCu(C3H2O4)2(H2O)4]n的合成、晶体结构及热稳定性

The title complex, [CaCu(C3H2O4)2(H2O)4]n, with a formula of C6H12CaCuO12 and Mr=379.78 has been sy-nthesized and characterized by single crystal X-ray diffraction structure analysis, elemental analysis, IR spectra and TG-DTG techniques. The results show that the crystal is Orthorhombic, space group Pbcn with a=0.669 21(5) nm, b=1.370 23(5) nm, c=1.322 39(10) nm, V=1.212 59(16) nm3, Dc=2.080 g·cm-3, μ=2.288 mm-1, F(000)=772 and Z=4. The final R=0.054 0 and wR=0.112 8 for 1 189 observed reflections with I>2σ(I). The structure of the title complex consists of CaO8 polyhedra and CuO6 elongated octahedra linked together by malonate ligands. The Ca(Ⅱ) cation, on a twofold axis, is coordinated by two water molecules and six malonate O atoms. The Cu(Ⅱ) cation, which lies in a centre of symmetry in an octahedral arrangement, is coordinated by four malonate O atoms and two water molecules. The structure comprises alternating layers along the [101] plane, with the shortest Cu…Cu distance of 0.762 46(6) nm. The whole 3D structure is maintained and stabilized by the presence of hydrogen bonds. Its thermo gravimetric analysis was determined by TG-DTG techniques. CCDC:663184.