Synthesis and Crystal Structure of (H_3O)_2[Cu_3Cl_3(H_2O)_3(NC_9H_(12.5)O_6)_2]  

作　　者：ZHANG Rui-Bo ZHANG Jian WEN Yi-Hang CHENG Jian-Kai LI Zhao-Ji YAO Yuan-Gen 

机构地区：[1]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on theStructure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002, China

出　　处：《Chinese Journal of Structural Chemistry》2005年第11期1302-1305,共4页结构化学（英文）

基　　金：This work was financially supported by the NNSF of China (No. 20173063), the State Key Basic Research and Development Plan of China (001CB108906) and the NSF of Fujian Province (E0020001)

摘　　要：The new compound, （H3O）2[Cu3Cl3（H2O）3（NC9H12.5O6）2] 1, has been synthesized by the hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction. The crystal is of hexagonal, space group P6 3/m with a = 10.6975（13）, c = 14.881 （3） A, V = 1474.8（4） A^3, C18H31Cl3Cu3N2O15·2（H3O）, Mr = 850.47, Z = 2, Dx = 1.915 g/cm^3, μ= 2.495 mm^-1, F（000） = 866, R = 0.0517 and wR = 0.0900 for 537 observed reflections （1 〉 2a（Ⅰ））. This compound contains two oxonium ions and one [Cu3Cl3（H2O）3（H0.5ntp）2]^2- anion （ntp = nitrilotripropanoato）, in which two tridentate ntp ligands connected by three copper（Ⅱ） ions enclose a cage-like unit. Each copper（Ⅱ） ion is coordinated by one water molecule, one chloride ligand and two carboxylate oxygen atoms from two ntp ligands assume a slightly distorted square-planar geometry. There are O-H…Cl hydrogen bonding interactions between unligated oxonium ions and ligated chlorine atoms of the units resulting in two-dimensional sheets and wheel-like three-dimensional interpenetrating frameworks.The new compound, （H3O）2[Cu3Cl3（H2O）3（NC9H12.5O6）2] 1, has been synthesized by the hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction. The crystal is of hexagonal, space group P6 3/m with a = 10.6975（13）, c = 14.881 （3） A, V = 1474.8（4） A^3, C18H31Cl3Cu3N2O15·2（H3O）, Mr = 850.47, Z = 2, Dx = 1.915 g/cm^3, μ= 2.495 mm^-1, F（000） = 866, R = 0.0517 and wR = 0.0900 for 537 observed reflections （1 〉 2a（Ⅰ））. This compound contains two oxonium ions and one [Cu3Cl3（H2O）3（H0.5ntp）2]^2- anion （ntp = nitrilotripropanoato）, in which two tridentate ntp ligands connected by three copper（Ⅱ） ions enclose a cage-like unit. Each copper（Ⅱ） ion is coordinated by one water molecule, one chloride ligand and two carboxylate oxygen atoms from two ntp ligands assume a slightly distorted square-planar geometry. There are O-H…Cl hydrogen bonding interactions between unligated oxonium ions and ligated chlorine atoms of the units resulting in two-dimensional sheets and wheel-like three-dimensional interpenetrating frameworks.

关 键 词：nitrilotripropionic acid copper compound cage-like structure 

分 类 号：O614.121[理学—无机化学]