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 g...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.展开更多
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)
文摘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.
