The title complex, potassium triethylenetetraaminehexaacetatodi [oxo-vanadium (Ⅳ)] hexahydrate K2[V2O2(ttha)]6(H2O), was synthesized in aqueous solution and its crystal structure has been determined by X-ray diffract...The title complex, potassium triethylenetetraaminehexaacetatodi [oxo-vanadium (Ⅳ)] hexahydrate K2[V2O2(ttha)]6(H2O), was synthesized in aqueous solution and its crystal structure has been determined by X-ray diffraction. The complex belongs to a triclinic system, space group P?with a = 6.645(1), b = 9.870(2), c = 13.263(3) ? a = 70.68(3), b = 76.27(3), g = 71.66(3), V = 770.5(3) 3, Mr = 808.58, Dc = 1.743 g/cm3, Z = 1, m = 0.968 mm-1, l(MoKa) = 0.71073 and F(000) = 416. The final R = 0.0465 and wR = 0.1091 for 2974 observed diffractions with I ≥ 2s(I). In the complex, the V atom is octahedrally coordinated to the oxo ligand, two N and three O atoms of the triethylenetetraaminehexaacetic (TTHA) ligand. All of the ten chelating sites are coordinated to the two vanadium atoms, and the coordination octahedron is distorted. Each [V2O2(ttha)]2- ion is further connected by the K+ ions through carboxyl groups of TTHA6- ion, forming a two dimensional network structure.展开更多
The crystal structure of the title compound N,N-bisphenyl-3,6-diethyl-1,4- dihydro-s-tetrazine-1,4-dicarbonamide (C20H22N6O2, Mr = 378.44) has been prepared and determi- ned by single-crystal X-ray diffraction. The cr...The crystal structure of the title compound N,N-bisphenyl-3,6-diethyl-1,4- dihydro-s-tetrazine-1,4-dicarbonamide (C20H22N6O2, Mr = 378.44) has been prepared and determi- ned by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pbca with a = 16.287(2), b = 11.347(4), c = 20.975(4) ? V = 3876.4(16) ?, Z = 8, Dc = 1.297 g/cm3, F(000) = 1600, m = 0.088 mm-1, MoKa radiation (l = 0.71073 ?. The structure was refined to R = 0.0337 and wR = 0.1038 for 1952 observed reflections with I > 2s(I). X-ray diffraction analysis reveals that two amide groups are located at the 1 and 4 positions, and the tetrazine ring itself shows a boat conformation.展开更多
基金the National Natural Science Foundation of China (20173046)
文摘The title complex, potassium triethylenetetraaminehexaacetatodi [oxo-vanadium (Ⅳ)] hexahydrate K2[V2O2(ttha)]6(H2O), was synthesized in aqueous solution and its crystal structure has been determined by X-ray diffraction. The complex belongs to a triclinic system, space group P?with a = 6.645(1), b = 9.870(2), c = 13.263(3) ? a = 70.68(3), b = 76.27(3), g = 71.66(3), V = 770.5(3) 3, Mr = 808.58, Dc = 1.743 g/cm3, Z = 1, m = 0.968 mm-1, l(MoKa) = 0.71073 and F(000) = 416. The final R = 0.0465 and wR = 0.1091 for 2974 observed diffractions with I ≥ 2s(I). In the complex, the V atom is octahedrally coordinated to the oxo ligand, two N and three O atoms of the triethylenetetraaminehexaacetic (TTHA) ligand. All of the ten chelating sites are coordinated to the two vanadium atoms, and the coordination octahedron is distorted. Each [V2O2(ttha)]2- ion is further connected by the K+ ions through carboxyl groups of TTHA6- ion, forming a two dimensional network structure.
基金the NNSFC (No. 20272053) and Science and Technology Bureau (011101937) of Zhejiang province
文摘The crystal structure of the title compound N,N-bisphenyl-3,6-diethyl-1,4- dihydro-s-tetrazine-1,4-dicarbonamide (C20H22N6O2, Mr = 378.44) has been prepared and determi- ned by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group Pbca with a = 16.287(2), b = 11.347(4), c = 20.975(4) ? V = 3876.4(16) ?, Z = 8, Dc = 1.297 g/cm3, F(000) = 1600, m = 0.088 mm-1, MoKa radiation (l = 0.71073 ?. The structure was refined to R = 0.0337 and wR = 0.1038 for 1952 observed reflections with I > 2s(I). X-ray diffraction analysis reveals that two amide groups are located at the 1 and 4 positions, and the tetrazine ring itself shows a boat conformation.
