配位聚合物{[Co(4,4′-bpy)(H2O)4](Fum)·4H2O}n的合成和晶体结构

The complex {[Co(4,4′-bpy)(H₂O)₄](Fum)·4H₂O}_n(where 4,4′-bpy = 4,4′-bipyridine and Fum = fumarate) was synthesized and characterized by X-ray diffraction. The complex consists of one-dimensional chains containing cobalt(Ⅱ) ions bridged by 4,4′-bpy molecules. The six-coordination of Co²⁺ is achieved by means of four water molecules. The fumarate is not coordinated to cobalt ion while it forms hydrogen bonds with coordinated and non-coordinated water molecules and extends the structure into three-dimensional hydrogen bonding network. CCDC: 190488.     

配合物[Cu2(m-MBA)4(2，2′-bipy)2(H2O)]·H2O的水热合成、晶体结构及电化学分析

A copper(Ⅱ) complex [Cu₂(m-MBA)₄(2，2′-bipy)₂(H₂O)]·H₂O with m-methylbenzoic acid (m-MBA), 2,2′-bipyridine (2,2′-bipy) and water molecule has been synthesized by means of hydrothermal way and characterized. Crystal data for this complex: monoclinic, space group C2/c, a=2.591 8(5) nm, b=1.414 2(3) nm, c=1.790 8(4) nm, β=131.80(3)°, V=4.893 3(17) nm³, D_c=1.379 g·cm^-3, Z=4, F(000)=2 104 , Final GooF=1.034, R₁=0.065 6, wR₂=0.197 6. The crystal structure shows that two neighboring copper(Ⅱ) ions are linked together by two bridging-chelating m-methylbenzoic acid groups, one bridging water molecule, forming a cage structure and the Cu(Ⅱ)-Cu(Ⅱ) bond distance is 0.366 7 nm. Each copper(Ⅱ) ion is coordinated with two nitrogen atoms of one 2,2′-bipyridine molecule and four oxygen atoms from three m-methylbenzoic acid molecules and one water molecule, repectiveley, forming a distorted octahedral coordination geometry. The cyclic voltammetric behavior of the Complex was also investigated. CCDC: 648619.     

{[Gd(DMF)3(DMSO)(H2O)3](μ-CN)[Fe(CN)5]}·2H2O的合成，结构表征和磁性

A new cyano-bridged Gadolinium^Ⅲ-Iron^Ⅲ complex {[Gd(DMF)₃(DMSO)(H₂O)₃](μ-CN)[Fe(CN)₅]}·2H₂O (DMF=N,N-dimethylformamide; DMSO=dimethylsulfoxide) was synthesized by the grinding reaction method. It crysta-llizes in the triclinic, space group P1 with cell parameters: a=0.90363(2) nm, b=1.250 78(3) nm, c=1.41303(1) nm, α=93.174(1)°, β=94.406(1)°, γ=91.817(2)°, and V=1.588 87(5) nm³, D_c=1.582 g·cm^-3, Z=2, M_r=756.72, F(000)=760, μ=2.645 mm^-1. The slightly distorted square-antiprism eightfold-coordinated Gd(Ⅲ) and the approxi-mately oriented octahedrally sixfold-coordinated Fe(Ⅲ) are linked by a cyano-bridge group to construct a dinuclear compound. The {[Gd(DMF)₃(DMSO)(H₂O)₃](μ-CN)[Fe(CN)₅]} species are held together via hydrogen bonds to form a three-dimensional framework. The Gd(Ⅲ)-Fe(Ⅲ) interaction is antiferromagnetic. CCDC: 223430.     

一种新的三维超分子化合物[Ni(H2O)6(fum)]·2(hmt)·4H2O的合成和晶体结构(fum=反丁烯二酸根；hmt=六次甲基四胺)

The synthesis of nickel supramolecular compound with hexamethylenetetramine and fumarate ligands is reported. The compound [Ni(H₂O)₆(fum)]·2(hmt)·4H₂O (1) (fum=fumarate; hmt=hexamethylenetetramine) were characterized by elemental analysis, crystal structure, IR. Compound 1 crystallizes in the triclinic system, space group P1, and with Z=1. Cell parameters: a=0. 934 6(1), b=0.933 8(1), c=0.938 8(2) nm, α=79.46(1)°, β=77.84(1)°, γ=61.29 6(7)°. Every metal ion has a octahedral coordination geometry formed by six oxygen atoms from six water molecules, and the relative independent components [Ni(H₂O)₆]²⁺, fumarate anions, hmt and H₂O molecules are linked together by two kinds of hydrogen bonds (O-H…O, and O-H…N) to form a three-dimensional structure. CCDC: 256355.     

配位聚合物[Mn(2，4，6-TMBA)2(H2O)3]n·2nH2O的水热合成和晶体结构

The title compound, [Mn(2,4,6-TMBA)₂(H₂O)₃]_n·2nH₂O(1), where 2,4,6-TMBA=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic, space group C2/c with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 04(17) nm, V=2.494 7(9) nm³, Z=4, M=471.40, D_c=1.255 g·cm^-3, μ=0.571 mm^-1, F(000)=996, R_int=0.029 4, R=0.037 6 and wR=0.094 9. The Mn atoms are octahedrally coordinated by two O atoms of two ligands and four O atoms of water. The carboxyl group coordinates to Mn(Ⅱ) in the mode of monodentate, while the O atoms of water molecules coordinates in bridging mode. The complex shows a one-dimensional chain structure bridged by water molecules. CCDC: 297750.     

{[Co(4，4′-bipy)(H2O)4]·(α-Furacrylic acid)2·(H2O)}n的水热合成、晶体结构及电化学分析

A complex {[Co(4,4′-bipy)(H₂O)₄]·(α-Furacrylic acid)₂·(H₂O)}_n with α-furacrylic acid, 4,4′-bipy and cobaltous chloride hexahydrate has been synthesized by means of hydrothermal way and characterized. Crystal data for this complex: monoclinic, space group P2₁/c, a=1.147 0(2) nm, b=1.099 9(2) nm, c=1.111 1(2) nm, β=97.829(3)°, V=1.388 7(5) nm³, D_c=1.429 g·cm^-3, Z=2, μ(Mo Kα)=0.682 mm^-1, F(000)=622, S=1.025, R₁=0.035 8, wR₂=0.086 1. The crystal structure shows that the cobalt(Ⅱ) ion is coordinated with two nitrogen atoms of two 4,4′-bipy molecules and four oxygen atoms from four water molecules, respectively, giving a distorted octahedral coordination geometry. Adjacent cobalt(Ⅱ) ions are bridged by 4,4′-bipy groups, resulting in a 1D chain structure. The adjacent Co(Ⅱ)-Co(Ⅱ) distance is 1.147 0 nm. The cobalt(Ⅱ) ion isn′ t coordinated with α-Furacrylic acid. The complex molecules form 2D structure through hydrogen bonds. The cyclic voltametric behavior of the complex was also investigated. CCDC: 648243.     

[U(CO3)3(H2O)2]·2H2O配合物的合成及晶体结构

A uranylcontaining compound [U(CO₃)₃(H₂O)₂]·2H₂O has been synthesized under hydrothermal condition and characterized by X-ray single-crystal analysis. Crystal structural analysis indicates that this compound consists of three CO₃^2- molecules, one U⁶⁺. The results reveal that the title compound presents a 3D frame work built up by O-H…O week hydrogen bonds interactions. The central uranium atom is eight-coordinated through three CO₃^2- molecules and two H₂O. The compound shows a coplanar hexagonal network structure, each hexagon containing a hexagonal hole with a water moleculet. CCDC: 737313.     

超分子三维氢键网络：{[Cu(phen)3](SO4)(H3PCA)2(8H2O)}的晶体结构

A new complex， {[Cu(phen)₃](SO₄)(H₃PCA)₂(8H₂O)}， was synthesized and structurally characterized by single-crystal X-ray analysis. The complex is composed of copper cations， sulfate anions， 1，10-phenanthroline， protocatechuic acid and lattice water molecules. The structure of H₃PCA， SO₄^2- and waters comprises packing of anionic three-dimensional network by hydrogen bonds with cavities. The complex can be considered as a model of host/guest supramolecule. The three-dimensional hydrogen-bonding network is the host species. The Cu(phen)₃²⁺ cations， guest species， occupied the cavities of the host. And the results demonstrate that the form of protocatechuic acid at pH< 1 should be free ligand. CCDC： 191733.     

配合物[Cu(NPA)2(Im)2(H2O)]·H2O的合成、晶体结构及电化学性质

A novel copper(II) complex [Cu(NPA)₂(Im)₂(H₂O)]·H₂O has been synthesized (NPA=N-phenylanthranilic acid and Im=imidazole) and characterized by IR, elemental analysis and X-ray single crystal diffraction methods. It Crystallizes in Triclinic system, space group P1 with a=0.987 9(2) nm, b=1.075 7(3) nm, c=1.559 7(5) nm, α=104.18(10)°, β=108.14(10)°, γ=92.69(10)°, V=1.513 39(7) nm³, Z=2, D_c=1.447 g·cm^-3, F(000)=684, R₁=0.028 0, wR=0.083 1. The Cu(II) ion in the title complex is coordinated with two oxygen atoms from two N-phenylanthranilic acid in monodenate mode, two nitrogen atoms form two imidazole, and one oxygen atom from water, forming a distorted square-pyramid coordination geometry. CCDC: 638653.     

[Cu(TO)2(H2O)4](PA)2的合成和晶体结构

[Cu(TO)₂(H₂O)₄](PA)₂ was prepared by mixing the aqueous solution of 1,2,4-triazol-5-one(TO) and Cu(PA)₂. The molecular structure and crystal structure of the title complex was determined by X-ray single crystal diffraction method. The crystal is triclinic, space group with a=0.7321(1)nm,b=0.7474(2)nm,c=1.3649(3)nm;α=88.65(2)°,β=85.63(1)°,γ=63.35(1)°;V=0.6655(2)nm³,Z=1. The Cu²⁺ coordinated with two TO molecule through its 2-nitrogen atom and four water molecules and showed an octahedral configuration.