Using a new ligand 1,6-bis(1,2,4-triazole-1-yl)hexane (L), one-dimensional coordination polymer Cu2(L)(CH3CO2)4n has been synthesized and characterized by elemental analysis, FTIR spectra and X-ray single crystal stru...Using a new ligand 1,6-bis(1,2,4-triazole-1-yl)hexane (L), one-dimensional coordination polymer Cu2(L)(CH3CO2)4n has been synthesized and characterized by elemental analysis, FTIR spectra and X-ray single crystal structural analysis. The title complex crystallizes in triclinic system with space group P1, a=0.722 5(7) nm, b=0.808 0(8) nm, c=1.173 1(11) nm, α=72.294(11)°, β=88.049(11)°, γ=66.294(11)°, V=0.594 2(10) nm3, Z=1, R1=0.037 0, wR2=0.098 3. The fundamental unit comprises two copper atoms (Cu(1), Cu(1A)), four μ2-bridged CH3CO2- and one ligand molecule. Cu(1) and Cu(1A) are both five-coordinated by four oxygen atoms from four μ2-CH3CO2- and one nitrogen atom from bridging ligand, forming a distorted square-pyramidal coordination configuration. Cu(1) and Cu(1A) are linked via four μ2-bridged CH3CO2- anions to form a paddle-wheel structural unit, which furthermore self-assemble into 1D chain via bridging ligands. CCDC: 603429.展开更多
吡唑与醋酸铜在p H 9的水溶液中,室温下通过自组装合成标题配合物。用元素分析和X-射线单晶衍射分析配合物的结构,结果显示,晶体属于单斜晶系,空间群为P2(1)/c,晶体单胞参数为a=11.648(2),b=19.869(3),c=9.703 5(16),β=99.535(2)...吡唑与醋酸铜在p H 9的水溶液中,室温下通过自组装合成标题配合物。用元素分析和X-射线单晶衍射分析配合物的结构,结果显示,晶体属于单斜晶系,空间群为P2(1)/c,晶体单胞参数为a=11.648(2),b=19.869(3),c=9.703 5(16),β=99.535(2)°。配合物3个中心铜(Ⅱ)离子均采取四面体构型,氢氧根与3个铜离子均形成配位键,由于配体桥连使配合物形成螺旋链,螺旋链之间通过醋酸根连接。展开更多
The coordination polymer [Cu(CH3COO)(C5H5N)2]n was synthesized and its crystal structure has been determined by X-ray diffraction technique. The crystal belongs to monoclinic,space group C2/c with a=1.183 2(1) nm,b=1....The coordination polymer [Cu(CH3COO)(C5H5N)2]n was synthesized and its crystal structure has been determined by X-ray diffraction technique. The crystal belongs to monoclinic,space group C2/c with a=1.183 2(1) nm,b=1.512 1(2) nm,c=1.391 1(1) nm,β=97.137(3)°,V=2.469 6(4) nm3,C12H13CuN2O2,Mr=280.78,Z=8,Dc=1.510 g·cm-3,μ=1.759 mm-1,F(000)=1 152,R1=0.048 2 and wR2=0.122 5 for 1 515 observed reflections [I>2σ(I)]. In the crystal the copper(Ⅱ) atom is tetra-coordinated primarily by two oxygen atoms of two symmetry-related carboxyl groups of acetate anions and two nitrogen atoms of two pyridine ligands in a parallelogram fashion. All of the pyridine rings linked to Cu(1) and Cu(2) are arranged centrosymmetrically on Cu(1). The neighboring copper complex molecules are linked together by the carboxylate oxygen atom of acetate anions to form an infinite one-dimensional linear chain structure. Moreover,π-π stacking interactions between intrachain pyridine molecules play the crucial role in constructing of the supramolecular structure.展开更多
基金supported by the the the Fund of Hunan Provincial Natural Science Foundation of China(No.11JJ9006)the Hunan Provincial innovative platform open fund project(11K009)Science and Technology Committee of Hunan Province(2012WK3029,2012GK3031)
文摘Using a new ligand 1,6-bis(1,2,4-triazole-1-yl)hexane (L), one-dimensional coordination polymer Cu2(L)(CH3CO2)4n has been synthesized and characterized by elemental analysis, FTIR spectra and X-ray single crystal structural analysis. The title complex crystallizes in triclinic system with space group P1, a=0.722 5(7) nm, b=0.808 0(8) nm, c=1.173 1(11) nm, α=72.294(11)°, β=88.049(11)°, γ=66.294(11)°, V=0.594 2(10) nm3, Z=1, R1=0.037 0, wR2=0.098 3. The fundamental unit comprises two copper atoms (Cu(1), Cu(1A)), four μ2-bridged CH3CO2- and one ligand molecule. Cu(1) and Cu(1A) are both five-coordinated by four oxygen atoms from four μ2-CH3CO2- and one nitrogen atom from bridging ligand, forming a distorted square-pyramidal coordination configuration. Cu(1) and Cu(1A) are linked via four μ2-bridged CH3CO2- anions to form a paddle-wheel structural unit, which furthermore self-assemble into 1D chain via bridging ligands. CCDC: 603429.
文摘吡唑与醋酸铜在p H 9的水溶液中,室温下通过自组装合成标题配合物。用元素分析和X-射线单晶衍射分析配合物的结构,结果显示,晶体属于单斜晶系,空间群为P2(1)/c,晶体单胞参数为a=11.648(2),b=19.869(3),c=9.703 5(16),β=99.535(2)°。配合物3个中心铜(Ⅱ)离子均采取四面体构型,氢氧根与3个铜离子均形成配位键,由于配体桥连使配合物形成螺旋链,螺旋链之间通过醋酸根连接。
文摘The coordination polymer [Cu(CH3COO)(C5H5N)2]n was synthesized and its crystal structure has been determined by X-ray diffraction technique. The crystal belongs to monoclinic,space group C2/c with a=1.183 2(1) nm,b=1.512 1(2) nm,c=1.391 1(1) nm,β=97.137(3)°,V=2.469 6(4) nm3,C12H13CuN2O2,Mr=280.78,Z=8,Dc=1.510 g·cm-3,μ=1.759 mm-1,F(000)=1 152,R1=0.048 2 and wR2=0.122 5 for 1 515 observed reflections [I>2σ(I)]. In the crystal the copper(Ⅱ) atom is tetra-coordinated primarily by two oxygen atoms of two symmetry-related carboxyl groups of acetate anions and two nitrogen atoms of two pyridine ligands in a parallelogram fashion. All of the pyridine rings linked to Cu(1) and Cu(2) are arranged centrosymmetrically on Cu(1). The neighboring copper complex molecules are linked together by the carboxylate oxygen atom of acetate anions to form an infinite one-dimensional linear chain structure. Moreover,π-π stacking interactions between intrachain pyridine molecules play the crucial role in constructing of the supramolecular structure.
