[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.     

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.     

三元混合配合物Cu(C10H8N2O3)·(C5H5N)·(H2O)的合成和晶体结构

The novel copper(Ⅱ) complex with 2-oxo-propionic acid benzoyl hydrazone and pyridine ligands, Cu(C₁₀H₈N₂O₃)·(C₅H₅N)·(H₂O) (C₁₀H₈N₂O₃^2- is the dinegative ion of 2-oxo-propionicacid benzoyl hydrazone), has been synthesized and characterized by elemental analysis and IR. The crystal structure of the title complex was determined by single crystal X-ray diffraction technique. Complex crystallized in the triclinic space group P1 with a = 0.729 08(10) nm, b= 1.020 01(14) nm, c= 1.126 28(15) nm, α = 71.644(2) °, β = 80.437(2) °, γ = 89.160(2)°, V= 0.78328(18) nm³, Z= 2, D_c= 1.547 Mg·m^-3, μ(MoKα) = 1.417 mm^-1, F(000) = 374. The final R₁ = 0.030 6, wR₂= 0.084 2 for 2 992 observed reflections [I≥2σ(I)] out of 3357 unique reflections. In this complex, copper(Ⅱ) ion is square-pyramidally coordinated by two oxygen atoms and one nitrogen atom of tridentate C₁₀H₈N₂O₃^2- ligand, one nitrogen atom of the pyridine ligand, and one oxygen atom of water molecule with the oxygen atom of water molecule locating at the apical position. The analysis of the crystal structure indicates that the complex has a one-dimensional chain structure, which is formed by intermolecular hydrogen bonds. CCDC: 222656.     

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.     

配合物[Sm(o-MOBA)3(phen)·H2O]2·4H2O的合成与晶体结构

The title complex [Sm(o-MOBA)₃(phen)·H₂O]₂·4H₂O has been synthesized by the reaction of SmCl₃·6H₂O with o-methoxybenzoic acid and 1,10-phenanthroline in 1∶3∶1 molar ratio. The crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic system, space group P1 with a=1.203(10) nm, b=1.293(10) nm, c=1.306(11) nm, α=64.50(10)°, β=81.93(10)°, γ=74.81(10)°. The molecular structure shows that the Sm³⁺ ion coordinates to nine atoms. The carboxylate groups are bonded to the samarium ion in three modes: monodentate, bidentate chelating, tridentate chelating-bridging. CCDC: 603740.     

氢键构筑具有三维结构的配合物[Cu(N-phthgly)2(H2O)2]·C2H5OH的合成及晶体结构

A copper(Ⅱ) complex [Cu(N-phthgly)₂(H₂O)₂]·C₂H₅OH(N-Hphthgly=N-phthaloylglycine) has been synthesized and characterized by elemental analysis, infrared spectroscopy and X-ray crystallography. The complex crystallizes in triclinic space group P1 with a=0.472 90(7) nm, b=1.080 01(13) nm, c=1.154 02(15) nm, α=74.360 0(10)°, β=79.151 0(10)°, γ=87.918(2)°, V=0.557 37(13) nm³, Z=1. The central copper atom allows the formation coordination environment with two O(5) atoms of two water ligands and two O(1) atoms of two N-phthgly ligands. The complex forms a step-like 3D structure through the three types of O-H…O hydrogen bonds and the Cu…O weak interaction. CCDC: 712945.     

配合物Ni(DPBP-SAH)2·2CH3CH2OH的合成和晶体结构

A nickel(Ⅱ) complex Ni(DPBP-SAH)₂·2CH₃CH₂OH, (DPBP-SAH=N-(1,3-diphenyl-4-benzylidene-5-pyrazolone)-salicylidene hydrazone), has been synthesized and characterized by elemental analyses, IR spectra and single crystal X-ray diffraction. It belongs to monoclinic, space group C2/c with a=2.737 9(4) nm, b=1.249 2(2) nm, c=1.760 8(2) nm, β=120.212(9)°, M_r=1 065.84, V=5.204(1) nm³, Z=4. The X-ray diffraction reveals that the nickel(Ⅱ) ion in the title complex is in a slightly distorted octahedral arrangement of the ON donor atoms of two DPBP-SAH and two O-donor atoms in ethanol. CCDC: 249394.     

一维链状铜配位聚合物[Cu(bpb)0.5(CH3COO)2]n的合成与晶体结构

A coordination complex of [Cu(bpb)_0.5(CH₃COO)₂]_n (bpb=1,4-bis(pyridine-3-aminomethyl)benzene) has been synthesized and characterized by elemental analysis, IR spectra, TG and X-ray single crystal diffraction. The title complex crystallizes in triclinic with space group P1, a=0.771 98(15) nm, b=0.827 62(17) nm, c=1.116 0(2) nm, α=96.71(3)°, β=90.03(3)°, γ=105.39(3)°, and V=0.682 4(3) nm³, Z=2, R=0.042 4, wR=0.091 1. The title complex is composed of dicopper tetracarboxylate units. Copper(Ⅱ) atom asumes a square-pyramidal coordination geometry formed with one pyridyl N atom from bpb and four O atoms from four bridging acetate anions. Two adjacent dicopper tetracarboxylate units are linked into a 1D chain by the bpb ligands, which were further connected by inter-chain hydrogen bonds to form a 2D network structure. CCDC: 667605.     

一维链状铜配位聚合物[Cu(bpb)(PPh3)2]n·nClO4·nCH2Cl2·nH2O的合成、晶体结构与荧光性质研究

A coordination polymer of [Cu(bpb)(PPh₃)₂]_n·nClO₄·nCH₂Cl₂·nH₂O(bpb=1,4-bis(pyridine-3-aminome-thyl)benzene) has been synthesized and characterized by elemental analysis, IR, TG, PL and X-ray single crystal diffraction. The title complex crystallized in triclinic with space group P1, a=1.065 8(4) nm, b=1.542 4(6) nm, c=1.690 8(6) nm, α=80.11(10)°, β=76.00(10)°, γ=82.72(10)°, and V=2.646 5(17) nm³, Z=2, R=0.068 4. In the title complex, each Cu(Ⅰ) ion displays a distorted tetrahedron coordination configuration, defined by two N atoms from two different bpb groups, and two P atoms from PPh₃. Two adjacent Cu(Ⅰ) tetrahedron units are linked into a one-dimensional chain by the bpb ligands, which are further connected by hydrogen bonds to form a two-dimensional layer structure. Furthermore, the solid-state fluorescent property of the title complex was studied at room temperature. CCDC: 743417.     

配合物[Cu2(phen)2](SiW12O40)(H2O)7的合成、晶体结构及电化学分析

The title complex has been synthesized by the reaction of silicotungstic acid, 1,10-phenanthroline (phen) monohydrate and cupric acetate. The crystal structure belongs to triclinic system, space group P1 with a=1.158 46(15) nm, b=1.658 8(2) nm, c=1.664 4(2) nm, α=82.090(2)°, β=76.001(2)°, γ=86.531(2)°, and V=3.072 6(7) nm³, D_c=3.887 g·cm^-3, Z=2, F(000)=3 196. R₁=0.086 7, wR₂=0.185 8. The structure shows that the copper(Ⅱ) atom is coordinated with two nitrogen atoms from the one phen and three oxgygen atoms from three water, forming a distorted square-pyramid configuration The cyclic voltametric behavior of the complex is also reported. CCDC: 298807.     

配合物[Cu(o-ABA)2(2，2′-bipy)]·(H2O)的水热合成、晶体结构及电化学性质

The title complex has been synthesized by o-acetamidobenzoic acid and 2,2′-bipyridine(bipy) in the mixture solvent of water and methanol. It crystallizes(C₂₈H₂₆CuN₄O₇, M_r=594.07) in Triclinic space group P1 with a=0.805 3(4) nm, b=0.845 5(4) nm, c=2.001 8(9) nm; α=100.797(8)°, β=93.054(7)°, γ=97.297(7)°, V=1.323 9(10) nm³, D_c=1.490 g·cm^-3, Z=2, F(000)=614. R₁=0.035 9, wR₂=0.080 5. The crystal structure shows that the copper atom is coordinated with four oxygen atoms from two o-acetamidobenzoic acid and two nitrogen atoms from the 2,2′-bipyridine, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 619084.     

二维网状铜(Ⅱ)配位聚合物{Cu(μ2-C10H8N2O3)( μ2-C6H12N4)1/2}n的合成和晶体结构

The novel copper(Ⅱ) coordination polymer with 2-oxo-propionic acid benzoyl hydrazone and hexamethylenetetramine ligands, {Cu(μ₂-C₁₀H₈N₂O₃)( μ₂-C₆H₁₂N₄)_1/2}_n (C₁₀H₈N₂O₃^2- is the dinegative ion of 2-oxo-propionicacid benzoyl hydrazone), has been synthesized and characterized by elemental analysis and IR spectroscopy. The crystal structure was determined by single crystal X-ray diffraction analysis. The results show that the crystal of the title coordination polymer belongs to monoclinic space group C2/c, the cell parameters are as follows: a=1.787 5(2) nm, b=0.730 93(9) nm, c=2.038 2(2) nm, β=92.890(2)°, and V=2.659 6(5) nm³, Z=8, D_c=1.687 Mg·m^-3, μ(Mo Kα)=1.659 mm^-1, F(000)=1 384, R=0.031 1, wR=0.079 0 for 2 454 observed reflections (I>2σ(I)) out of 2887 unique reflections. In this copper(Ⅱ) coordination polymer, each copper(Ⅱ) ion is five-coordinated with a geometry of distorted square-pyramid. Two oxygen atoms of the carboxyl of each C₁₀H₈N₂O₃^2- acts as a bridge to bond two neighboring copper(Ⅱ) ions, leading to an infinite one-dimensional chainlike coordination polymer. Each chain is linked by coordinated hexamethylenetetramines with its neighbors to form an infinite two-dimensional network structure. CCDC: 255347.     

有机-无机复合物[H2(PW12O40){Zn(C10H8N2)2(H2O)}]·1.5[Zn(C10H8N2)3]·1.75H2O的合成、结构及性能

An organic-inorganic hybrid complex, [H₂(PW₁₂O₄₀){Zn(C₁₀H₈N₂)₂(H₂O)}]·1.5[Zn(C₁₀H₈N₂)₃]·1.75H₂O has been synthesized hydrothermally and structurally characterized by X-ray crystallography. The crystal belongs to monoclinic, space grounp C2/c, with a=4.709 4(2) nm, b=1.431 77(7) nm, c=2.621 07(1) nm, β=90.125(4)°, V=17.673 4(2) nm³, Z=8, D_c=3.087 Mg·m^-3, F(000)=14 884, μ(Mo Kα)=16.327 mm^-1. The structure was refined to R₁=0.068 7 and wR₂=0.158 0 for 20 128 observed reflections with I>2σ(I). Single crystal structure shows that the title compound is constructed from [PW₁₂O₄₀]^3- cluster anion and [Zn(C₁₀H₈N₂)₂(H₂O)]²⁺ metal-organic complex cation, in which metal Zn(Ⅱ) cation are coordinately bonded to the terminal oxygen of Keggin polyanions. The title compound exhibits good catalytic activity for oxidation of benzaldehyde to benzoic acid. CCDC: 624772.     

配合物[Cu(CAM)(H2O)2]的水热合成与结构表征

A copper(II) complex [Cu(CAM)(H₂O)₂], (CAM=4-hydroxypyridine-2,6-dicarboxylic acid), has been hydr-othermally synthesized and characterized by elemental analysis, IR, and X-ray diffraction single crystal structure analysis. It belongs to triclinic system, with space group P1, a=0.783 3(3) nm, b=0.796 5(3) nm, c=0.798 6(3) nm, α=100.340(6)°, β=93.768(6)°, γ=109.348(5)°, V=0.458 3(3) nm³, Z=2. The copper(II) ion is 5-coordinated and exhi bits a distorted square pyramidal coordination environment. The two coordinated aqueous molecules and the oxygen atoms from the ligand generate the intermolecular hydrogen bonds, which result in the 2D supramolecular network. CCDC: 227156.     

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.     

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.     

配合物[Ce(CH2=C(CH3)COO)2(NO3)(Bipy)]的合成及晶体结构

The new complex [Ce(CH₂=C(CH₃)COO)₂(NO₃)(Phen)]₂ was prepared in ethanol-aqueous solution with 8-hydroxyquinoline as the acidity regulator. Its crystal structure was determined by X-ray diffraction analysis. The title complex is triclinic, space group P1, a=1.00832(3)nm, b=1.02858(8)nm, c=1.12350(8)nm, α=113.9250(10)°, β=103.8210(10)°, γ=81.4650(10)°, V=1.03252(14)nm³, Z=1, D_c=1.700g·cm^-3, F(000)=522. The coordination number of Ce³⁺ is nine. CCDC: 211278.     

一维链状锰配位聚合物[Mn(3,5-Me2PhCO2)2(phen)]n的合成与晶体结构

A manganese coordination polymer [Mn(3,5-Me₂PhCO₂)₂(phen)]_n(phen=1,10-phenanthroline) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a=0.770 3(4) nm, b=1.145 2(6) nm, c=1.537 0(9) nm, α=78.182(9)°, β=77.170(9)°, γ=89.784(9)°, V=1.292 8(12) nm³, Z=2, M_r=533.47, D_c=1.370 g·cm^-3, μ=0.549 mm^-1, F(000)=554, R_int=0.043 4, R=0.060 8 ,wR=0.148 4. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from phen and four oxygen atoms from four 3,5-dimethylbenzolate molecules, completing an octahedral geometry. And the title complex forms one-dimensional chain structure through bridging 3,5-dimethylbenzolate molecules. CCDC: 642920.     

配合物[Cu(L-Ile)(TATP)(H2O)]ClO4的结构、表征及与DNA之间的相互作用

Ternary complex [Cu(L-Ile)(TATP)(H₂O)](ClO₄)] was synthesized and characterized by molar conductivity, rotational analysis, spectroscopic (IR and UV-Vis) and X-ray diffraction methods, where L-Ile=L-Isoleucine, and TATP=1,4,8,9-tetraazatriphenylene. The complex crystallizes in triclinic space group P1 with two molecules in a unit cell of dimensions a=8.240 3(9) nm, b=11.914 9(13) nm, c=13.436 0(15) nm, α=109.136(2)°, β=101.101(2)°, γ=106.302(2)°. V=1.209 2(5) nm³, Z=2, D_c=1.589 Mg·m^-3, μ=1.132 mm^-1，R₁=0.036 9, wR₂=0.098 0. The crystal contains two independent [Cu(L-Ile)(TATP)(H₂O)]⁺ complexes for Cu₁ and Cu₂, respectively, having essentially the same distorted square-pyramidal structure, where each Cu(Ⅱ) ion is coordinated with two nitrogen atoms of TATP and the amino nitrogen atom and one carboxylate oxygen atom of L-Ile in the equatorial positions and one water oxygen atom at an axial position. Furthermore, the primary studies on the interaction between the complex and calf thymus DNA were also performed by electronic absorption spectroscopy and viscosity methods. CCDC: 244231.     

弱桥联二聚体丙酮酸异烟酰腙合锡(Ⅳ)配合物[(p-CNC6H4CH2)2Sn(C9H7N3O3)(H2O)]2的合成、表征和晶体结构

Diorganotin(Ⅳ) compound [(p-CNC₆H₄CH₂)₂Sn(C₉H₇N₃O₃)(H₂O)]₂ was synthesized by the reaction of tri-p-cyanobenzyltin chloride with Schiff base ligand pyruvic acid isonicotinyl hydrazone. The compound was characterized by elemental analysis, IR, ¹H NMR. The crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic space group C2/c, with a=3.143 1(3) nm, b=0.989 99(10) nm, c=1.785 68(18) nm, β=114.908 0(13)°, V=5.039 6(9) nm³, Z=4, μ=1.054 mm^-1, D_c=1.513 Mg·m^-3, F(000)=2 304, R=0.042 8, wR=0.090 3, GOF=0.997. In this compound, the Sn atom exists in a distorted octahedral coordination environment in which one water molecule, one tridentate pyruvic acid isonicotinyl hydrazone ligand, and two trans p-cyanobenzyl groups coordinate to each Sn center, the angle of the axial C10-Sn1-C18 is 166.1(2)°. Two molecules form a weak-bridged dimmer with weak interactions of Sn…O bonding and hydrogen bonds. CCDC: 270796.