The title compound [Cu（bbtz）（HCOO）2（H2O）2], （bbtz = 1,4-bis（1,2,4-triazol-1- ylmethyl）-benzene） was synthesized by the reaction of Cu（HCOO）2 and bbtz in methanol/H2O solution and its structure was determin...The title compound [Cu（bbtz）（HCOO）2（H2O）2], （bbtz = 1,4-bis（1,2,4-triazol-1- ylmethyl）-benzene） was synthesized by the reaction of Cu（HCOO）2 and bbtz in methanol/H2O solution and its structure was determined by single-crystal X-ray diffraction. Crystal data： C14H18CuN6O6, monoclinic, space group P2 1/c, a = 9.651（2）, b = 10.380（2）, c = 9.368（2） A, β = 112.905（5）°, V = 864.5（3） A^3, Mr = 429.88, Z = 2, Dc = 1.651 g/cm^3, F（000） = 442, μ = 1.311 mm^-1, the final R = 0.0305 and wR = 0.0856 for 1891 observed reflections with I 〉 2σ（I）. X-ray crystal-structure analysis suggests the central copper atom of the title compound is six-coordinated in a distorted octahedral geometry by two nitrogen atoms from two bbtz ligands as well as four oxygen atoms from two H2O and two HCOO^-. The copper atoms are linked by bridging ligand bbtz to form a one-dimensional chain. There are intra- and interchain hydrogen bonding interactions between hydrogen atoms of coordinated water and uncoordinated oxygen atom of HCOO^-.展开更多
基金The project was supported by the Natural Science Foundation of University of Anhui Province (No. 2006KJ156B) and Jiangsu Province (No. 03KJB150118)
文摘The title compound [Cu（bbtz）（HCOO）2（H2O）2], （bbtz = 1,4-bis（1,2,4-triazol-1- ylmethyl）-benzene） was synthesized by the reaction of Cu（HCOO）2 and bbtz in methanol/H2O solution and its structure was determined by single-crystal X-ray diffraction. Crystal data： C14H18CuN6O6, monoclinic, space group P2 1/c, a = 9.651（2）, b = 10.380（2）, c = 9.368（2） A, β = 112.905（5）°, V = 864.5（3） A^3, Mr = 429.88, Z = 2, Dc = 1.651 g/cm^3, F（000） = 442, μ = 1.311 mm^-1, the final R = 0.0305 and wR = 0.0856 for 1891 observed reflections with I 〉 2σ（I）. X-ray crystal-structure analysis suggests the central copper atom of the title compound is six-coordinated in a distorted octahedral geometry by two nitrogen atoms from two bbtz ligands as well as four oxygen atoms from two H2O and two HCOO^-. The copper atoms are linked by bridging ligand bbtz to form a one-dimensional chain. There are intra- and interchain hydrogen bonding interactions between hydrogen atoms of coordinated water and uncoordinated oxygen atom of HCOO^-.
