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

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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 P63/m with a = 10.6975(13), c = 14.881(3) ?, V = 1474.8(4) ?3, C18H31Cl3Cu3N2O15?2(H3O), Mr = 850.47, Z = 2, Dx = 1.915 g/cm3, μ = 2.495 mm-1, F(000) = 866, R = 0.0517 and wR = 0.0900 for 537 observed reflections (I > 2σ(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 interpene- trating 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 P63 / m with a = 10.6975 (13), c = 14.881 (3) ?, V = 1474.8 (4)? 3 and C18H31Cl3Cu3N2O15? 2 (H3O) with Mr = 850.47, Z = 2 and Dx = 1.915 g / cm3, μ = 2.495 mm-1, F (000) = 866, R = 0.0517 and wR = 0.0900 for 537 observed reflections (I> 2σ (I)). This compound contains two oxonium ions and one [Cu3Cl3 (H0.5 ntp) 2] 2-anion (ntp = nitrilotripropanoato), in which two tridentate ntp ligands connected by three copper (II) ions enclose a cage-like unit. 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 wh eel-like three-dimensional interpene-trating frameworks.
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