一维链状钴配位聚合物{[Co(4，4′-bipy)(C9H8O3N)2](H2O)4}n的溶剂热合成、晶体结构及热稳定性

One novel coordination polymer {[Co(4,4′-bipy)(C₉H₈O₃N)₂](H₂O)₄}_n with p-acetamidobenzoic acid and 4,4′-bipy has been synthesized. It was characterized as crystallizing in the triclinic space group P1, with: a=1.138 1(2) nm, b=1.165 2(2) nm, c=1.223 3(2) nm, α=88.47(3)°, β=88.00(3)°, γ=65.78(3)°, V=1.478 4(4) nm³, D_c=1.446 g·cm^-3, Z=1, F(000)=670. Final GooF=1.106, R₁=0.041 5, wR₂=0.110 4. The crystal structure shows that the cobalt(Ⅱ) ion is lined with one 4,4′-bipy molecule, forming a one-dimension chain with Z-type structure, which coordinated with two nitrogen atoms of two 4,4′-bipy molecules and four oxygen atoms from two p-acetamidobenzoic acid molecules, giving a distorted octahedral coordination geometry. The result of TG analysis shows that the title complex was stable under 230.0 ℃. CCDC: 741932.     

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.     

2D氢键网络镍配合物{[Ni(4，4′-bipy)(H2O)4]·(α-furacrylic acid)2·(H2O)}n的水热合成、晶体结构及电化学性质

A complex [Ni(α-furacrylic acid)₂(4，4′-bipy)(H₂O)₅]_n with α-furacrylic acid， 4，4′-bipy and Nickel perchl-orate has been synthesized by means of hydrothermal way and characterized. Crystal data for this complex: monoclinic， space group P2₁/c， a=1.122 2(2) nm， b=1.084 1(2) nm， c=1.081 6(2) nm， β=98.37(3)°， V=1.301 8(5) nm³， D_c=1.524 g·cm^-3， Z=2， μ(Mo Kα)=0.813 mm^-1， F(000)=624， S=1.073， R₁=0.041 2， wR₂=0.093 4. The crystal structure shows that the Nickel(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 Nickel(Ⅱ) ion are bridged by 4，4′-bipy groups and the adjacent Ni(Ⅱ)…Ni(Ⅱ) distance is 1.122 2 nm. The Nickel(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: 658849.     

一维链状钴配位聚合物{[Co(C4H4O5)(H2O)2]·H2O}n的合成与晶体结构

One dimensional chain cobalt coordination polymer has been synthesized with malic acid and cobalt(Ⅱ) chloride anhydrous, and characterized by the element analysis, IR, TGA and single crystal X-ray diffraction structure analysis. The title complex crystallizes in monoclinic system with space group P2₁, a=0.575 61(9) nm, b=0.905 86(14) nm, c=0.841 02(13) nm, β=105.350(2)°; V=0.422 88(11) nm³, Z=2, D_c=1.924 Mg·m^-3, μ=2.044 mm^-1, F(000)=250, and final R₁=0.029 3, wR₂=0.074 2. The crystal structure shows that the cobalt ion is coordinated with four oxygen atoms from two different malate molecules and two oxygen atoms from two water molecules respectively, forming a distorted octahedral coordination geometry. Two adjacent cobalt(Ⅱ) atoms are bridged by one malate groups in bis-monodentate mode, constructing a one dimensional chain structure along b axis, with the adjacent Co…Co distance being 0.530 9 nm. Moreover, the molecules are packed in three-dimensional supramolecular network though the intermolecular hydrogen bonds. CCDC: 704441.     

配位聚合物[Mn(4，4′-bpy)1.5(H2O)3](ClO4)·(4，4′-bpy)(L)·H2O的水热合成和晶体结构

The title compound, [Mn(4,4′-bpy)_1.5(H₂O)₃](ClO₄)·(4,4′-bpy)(L)·H₂O(1), where L=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of triclinic, space group P1 with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 0(1) nm, α=105.300(2)°, β=97.495(2)°, γ=91.118(2)°, V=1.884 0(4) nm³, Z=2, M_r=780.10, D_c=1.375 g·cm^-3, μ=0.483 mm^-1, F(000)=812, R=0.055 4, wR=0.135 2. The Mn atoms are octahedrally coordinated by three N atoms of three 4,4′-bipyridine ligands and three O atoms of water. The complex shows a one-dimensional chain structure bridged by water and 4,4′-bipyridine molecules. CCDC: 615707.     

配合物[Co(phen)2(m-chlorobenzoic acid)2·(H2O)]·(H2O)2的水热合成、晶体结构电化学分析

The title complex has been synthesized with m-chlorobenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous in the solvent mixture of water and methanol. Crystal data for this complex: triclinic, space group P1, a=0.870 7(3) nm, b=1.284 4(4) nm, c=1.692 9(5) nm; α=75.430(5)°, β=77.562(5)°, γ=86.346(5)°, V=1.789 4(9) nm³, D_c=1.456 g·cm^-3, Z=2, F(000)=806. Final GooF=1.065, R₁=0.068 4, wR₂=0.127 5. The crystal stru-cture shows that the Cobaly ion is coordinated with four nitrogen atoms from two 1,10-phenanthroline molecules and two oxygen atoms from one m-chlorobenzoic acid molecule and one water molecule respectively, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 619087.     

超分子钴(Ⅱ)配合物[CoL(H2O)2]n的合成与结构表征

A mononuclear Cobalt(Ⅱ) complex [CoL(H₂O)₂]_n (H₂L: 4,4′,6,6′-Tetrabromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized by elemental analysis, IR and X-ray diffraction single crystal structure analysis. The crystal of the complex belongs to monoclinic space group P2₁/c with a=2.516 8(3) nm, b=1.023 43(18) nm, c=0.789 17(14) nm, β=91.375(2)°, V=2.032 1(5) nm³, Z=4, D_c=2.317 Mg·m^-3, μ(Mo Kα)=8.747 mm^-1, F(000)=1 356, R₁=0.049 7, wR₂=0.110 4. The crystal structure of [CoL(H₂O)₂]_n indicates that the complex consists of one cobalt(Ⅱ) atom, one L^2- unit and two coordinated water molecules, and the coordination number of the cobalt(Ⅱ) atom is six. One-dimensional chain supramolecular structure is formed by intermolecular hydrogen bonds and π-π stacking of neighboring benzene rings. CCDC: 652649.     

一维链状镉(Ⅱ)配位聚合物{[Cd(PAc)2(4，4′-bipy)(H2O)]·4H2O}n的合成、晶体结构及热稳定性研究

A novel one-dimensional coordination polymer, {[Cd(PAc)₂(4,4-bipy)(H₂O)]·4H₂O}_n (HPAc=phenyl acetic acid, 4,4′-bipy=4,4′-bipyridine) was synthesized and characterized by element analysis, IR, TG and X-ray single diffraction crystal structure determination. It crystallizes in the monoclinic space group C2/c with a=2.088 5(4) nm, b=0.839 05(17) nm, c=1.683 5(3) nm, β=105.45(3)° and V=2.843 5(10) nm³, Z=4, M_r=628.94, F(000)=1 288, μ=0.820 mm^-1, R=0.019 9, wR=0.056 5. Each cadmium(Ⅱ) atom is seven-coordinated by four oxygen atoms from two different phenyl acetate groups and two nitrogen atoms from two 4,4′-pyridine ligands and one water molecule, forming a distorted pentagonal bipyramid coordination geometry. Adjacent cadmium(Ⅱ) atoms are bridged by 4,4′-pyridine ligand, constructing a infinite chain along the diagonal direction of ac plane. The Cd…Cd separation within the polymer is 1.164 6(4) nm. The three-dimensional supramolecular structures of the title complexes are constructed by hydrogen bonding interactions and π-π stacking interactions between the benzene rings of HPAc and 4,4′-bipy. CCDC: 616697.     

一维链状铽配位聚合物{[Tb(p-MBA)2(H2O)2]2·(4，4′-bipy)2}n的合成、晶体结构及荧光分析

A novel one-dimensional chain coordination polymer of terbium(Ⅲ) with p-methylbenzoic acid, 2,2′-bi-pyridine and 4,4′-bipyridine has been synthesized and characterized. The crystal data of this complex C₃₉H₃₇N₃O₈Tb are as follows: monoclinic system, space group P2₁/n, a=0.974 01(10) nm, b=2.605 8(3) nm, c=1.457 77(14) nm, β=96.108(2)°, V=3.678 9(6) nm³, D_c=1.507 g·cm^-3, M_r=834.64, Z=4, μ(Mo Kα)=1.978 mm^-1, F(000)=1 684, R₁=0.032 4, wR₂=0.063 4. The crystal structure of the complex shows that the terbium(Ⅲ) ion is coordinated with eight oxygen atoms, six from five p-methylbenzoic acid molecules and two from two water molecules, respectively, forming the distorted tetraprism geometry. The luminescent property of the complex is also studied. CCDC: 619216.     

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.     

双核镍配合物[Ni2(p-PhDTA)(2,2′-bipy)2(H2O)2]·4H2O的合成与晶体结构

A novel dinuclear complex of [Ni₂(p-PhDTA)(2,2′-bipy)₂(H₂O)₂]·4H₂O (p-PhDTA^2-=para-phenylenediamine-N,N,N′,N′-tetraacetate)has been synthesized. The complex was characterized by elemental analysis, IR spectra, thermo-analysis and X-ray diffraction. The crystal belongs to triclinic, space group P1 with a=0.976 3(7)nm, b=0.989 41(7) nm, c=1.084 29(8) nm, α=65.661 0(10)°, β=75.234 0(10)°, γ=85.616 0(10)°, Z=2, V=0.925 44(12) nm³, D_c=1.568 g·cm^-3, R₁=0.031 5, wR₂=0.081 4. In the complex, the central Ni(Ⅱ) ion is coordinated in a distorted octahedral geometry, defined by two carboxyl O atoms and one N atom from same p-PhDTA^2- group, two N atoms from 2,2′-bipyridine ligand and one water molecule. The two nickel (Ⅱ) ions are linked by p-PhDTA^2- group into a dinuclear structure and extensive hydrogen bonds link the complex into a 2D supramolecular network. CCDC: 294084.     

二维配位聚合物[Mn(FA)2(4，4′-bipy)]n的合成、晶体结构及量子化学研究

A novel manganese coordination polymer [Mn(FA)₂(4，4′-bipy)]_n(HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm³, Z=4, D_c=1.523 g·cm^-3, M_r=433.27, F(000)=884, μ=0.740 mm^-1, R₁=0.028 2 and wR₂=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)₂]_n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.     

一维链状镍配位聚合物{[Ni(4，4′-bipy)(2，4，6-TMBA)2(H2O)2]·(CH3OH)}n的合成、晶体结构及电化学性质

One dimensional chain nickel(Ⅱ) coordination polymer has been synthesized with 2，4，6-trimethylbenz-oic acid， 4，4′-bipyridine and nickel perchlorate anhydrous， and characterized in the solvent mixture of water and methyl-alcohol. Crystal data for this complex: monoclinic， space group C2/c， a=2.154 7(7) nm， b=1.131 9(2) nm， c=1.655 7(8) nm， β=129.66(3)°， V=3.108 7(19) nm³， D_c=1.370 g·cm^-3， Z=4， F(000)=1 360， final GooF=1.042， R₁=0.034 4， wR₂=0.078 7. The crystal structure shows that the nickel ion is coordinated with two nitrogen atoms of two 4，4′-bipyridine molecules and four oxygen atoms from two 2，4，6-trimethylbenzoic acid molecules and two water molecules， respectively， forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 649415.     

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.     

配合物[Mn(2,2′-bipy)(H2O)4]·(m-phth)的水热合成和晶体结构

A mononuclear manganese complex [Mn(2,2′-bipy)(H₂O)₄]·(m-phth) (2,2′-bipy=2,2′-bipyridine, m-phth=isophthalate) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pnna with a=0.766 8(8) nm, b=2.050 2(2) nm, c=1.247 0(13) nm, V=1.960 4(4) nm³, Z=4, M_r=447.30, D_c=1.376 g·cm^-3, μ=0.722 mm^-1, F(000)=924, R_int=0.027 0, R=0.028 0 and wR=0.075 5. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from 2,2′-bipyradine and four oxygen atoms from water molecules, completing an octahedral coordination geometry. The isophthalate molecules are included in the lattice and connected to Mn(2,2′-bipy)(H₂O)₄ by hydrogen bonding interactions to form a three-dimensional supramolecular structure. CCDC:286965.     

{(n-Bu4N)2[Mo2O2S6Cu6Br4(4，4′-bipy)3]·0.5H2O}n的合成与晶体结构

Cluster coordination polymer {(n-Bu₄N)₂[Mo₂O₂S₆Cu₆Br₄(4,4′-bipy)₃]·0.5H₂O}_n (4,4′-bipy=4,4′-bipyridine), has been synthesized and characterized by X-ray crystallography. The polymeric anion {[Mo₂O₂S₆Cu₆Br₄(4,4′-bipy)₃]^2-}_n is composed of secondary building units (SBUs) [MoOS₃Cu₃], Br atoms and 4,4′-bipy ligands. Two secondary building units [MoOS₃Cu₃] and a double parallel 4,4′-bipy ligands form an octanuclear rectangular metallamacrocycle with the dimension of 1.13×0.39 nm², which is further connected by single bridging 4,4′-bipy ligands to form a 1D zigzag structure. Crystal data for compound 1: C₆₂H₉₇N₈O_2.50S₆Br₄Cu₆Mo₂, M=2 079.68, Triclinic, P1, a=0.982 40(10) nm, b=1.293 70(10) nm, c=1.737 4(2) nm, α=97.810(10)°, β=101.390(10)°, γ=108.520(10)°, V=2.005 1(4) nm³, Z=2, D_c=1.722 g·cm^-3, F(000)=1 039, μ(Mo Kα)=4.055 mm^-1, the final R=0.040 7, wR₂=0.097 2. CCDC: 236407.     

桥联双核配合物[(DPC)2Co2(H2O)5]·2H2O的合成与晶体结构

The new complex formulated [(DPC)₂Co₂(H₂O)₅]·2H₂O (HDPC^- is pyridine-2,6-dicarboxylate) has been synthesized and the crystal structure was determined by X-ray diffraction. The crystal structure of the complex belongs to monoclinic system with space group P2₁/c, a=0.83850(10) nm, b=2.7386(4) nm, c=0.9610(2) nm, β=98.280 (10) °, V=2.1838(6) nm³, Z=4, D_c=1.746 g·cm^-3, μ=1.597 mm^-1. In the crystal the two Co²⁺ are in distorted octahedrons. The part of [Co(DPC)₂] possess an approximate D_2d symmetry, while the part of [OCo₍₂₎(OH₂)₅] has an approximate C₂ symmetry.     

双核配合物[Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O的合成及晶体结构

The new complex [Cu₂(L-Asp)(phen)₃(NO₃)](NO₃)·4H₂O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure has been determined. The complex crystallizes in the monoclinic with space group P2₁/c, The cell parameters are: a=1.261 3(2) nm, b=1.500 8(4) nm, c=2.230 7(4) nm, β=99.55(1)°, and V=4.164 1(16) nm³，D_c=1.587 g·cm^-3. The complex contains two six-coordinated copper ions, and these two copper ions are connected together by L-aspartate to give rise to a binuclear structure. Hydrogen bonds and π-π stacking interactions are observed in the complex. CCDC: 249250.     

草酸根桥联的双核铜(Ⅱ)配合物[Cu2(phen)2(H2O)2(μ2-C2O4)](NO3)2的合成及晶体结构

A new binuclear copper(Ⅱ) complex, [Cu₂(phen)₂(H₂O)₂(μ₂-C₂O₄)](NO₃)₂, has been synthesized and characterized by elemental analysis, IR and UV-Vis spectrum. Its crystal structure was determined by single crystal X-ray diffraction techniques. Crystal data: monoclinic, space group P2₁/c, a=0.712 21(8) nm, b=1.170 93(14) nm, c=1.783 7(2) nm, β=111.828(2)°, and V=1.380 8(3) nm³, D_c=1.769 Mg·m^-3, Z=2, F(000)=744, R₁=0.025 4, wR₂=0.069 5, Gof=1.077, Δρ=328～-455 e·nm^-3. The complex is packed by one centrosymmetry binuclear copper(Ⅱ) unit, oxalate dianion and NO₃^- anion. In the molecule structure of the title complex, two Cu(Ⅱ) ions are bridged by oxalate dianion and each Cu(Ⅱ) ions coordinates with two nitrogen atoms from 1,10-phenanthroline ligand and one oxygen atom from water to form a five-coordinate distorted square-pyramidal configuration. The hydrogen bonds are observed between coordinated water molecules and NO₃^- anions. The analysis of the crystal structure indicates that the complex has a two-dimensional stacking network structure, which is formed by intramolecular hydrogen bonds, intermolecular hydrogen bonds and stacking effect of aromatic ring. CCDC: 255345.     

异双桥二维镍(Ⅱ)配位聚合物 ∞2[Ni(μ-4，4′-bpy)2/2(μ-L)4/2](HL=2-indolyl-formic acid)的水热合成和晶体结构

The allo-bisbridge 2D coordination polymer _∞²[Ni(μ-4，4′-bpy)_2/2(μ-L)_4/2](HL=2-indolyl-formic acid) has been obtained by using hydrothermal synthesis, and the results of X-ray single crystal diffraction analysis show that the compound crystallizes in monoclinic system, space group C2/c (No.15) with a=2.300 2(5) nm, b=1.129 1(2) nm, c=0.974 0(2) nm, β=109.85(3)°, V=2.379 2(8) nm³, D_c=1.494 g·cm^-3, Z=4, F(000)=1 104, μ=0.860 mm^-1, R=0.032 2, wR=0.088 8. The crystal structure consists of the [Ni(μ-4,4′-bpy)_2/2(μ-L)_4/2] complex molecules, in which the Ni atom is octahedrally coordinated by two N atoms from two different 4,4′-bpy molecule ligands and four O atoms from four different L- anion ligands. TG analysis indicate that title coordination polymer possesses relatively high thermal stability. CCDC: 252833.