In this paper, the molecular and crystal structures of the K3·5H2O(TTHA=triethylenetetraminehexaacetic acid)are given. The crystal data are as follows: monoclinic system, P21/c space group, a=1.0290(9)nm, b=1.246...In this paper, the molecular and crystal structures of the K3·5H2O(TTHA=triethylenetetraminehexaacetic acid)are given. The crystal data are as follows: monoclinic system, P21/c space group, a=1.0290(9)nm, b=1.2466(11)nm, c=2.279(2)nm, β=91.322(16)°, V=2.923(5)nm3, Z=4, M=860.67, Dc=1.956gcm-3, μ=3.217mm-1, F(000)=1720. The final R1 and wR2 are 0.0395 and 0.0796 for 5145 [I >2.0σ(I)] unique reflections and 0.0546 and 0.0833 for all 11567 reflections, respectively. In the title complex, the anion 3- has a nine coordination structure with distorted tricapped trigonal prism. A TTHA having four N atoms of amido groups and six O atoms of carboxylic groups acts as a enneadentate ligand with four N atoms and five O atoms. In addition, there is a free non coordinated carboxyl group ( CH2COO-) in the complex anion 3-. The free carboxyl group could be embellished by some biological molecules which have selectivity and affinity to tumor cell. Then the 166HoⅢ TTHA complex may become radioactive anti tumor drug having targeting function.展开更多
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
文摘In this paper, the molecular and crystal structures of the K3·5H2O(TTHA=triethylenetetraminehexaacetic acid)are given. The crystal data are as follows: monoclinic system, P21/c space group, a=1.0290(9)nm, b=1.2466(11)nm, c=2.279(2)nm, β=91.322(16)°, V=2.923(5)nm3, Z=4, M=860.67, Dc=1.956gcm-3, μ=3.217mm-1, F(000)=1720. The final R1 and wR2 are 0.0395 and 0.0796 for 5145 [I >2.0σ(I)] unique reflections and 0.0546 and 0.0833 for all 11567 reflections, respectively. In the title complex, the anion 3- has a nine coordination structure with distorted tricapped trigonal prism. A TTHA having four N atoms of amido groups and six O atoms of carboxylic groups acts as a enneadentate ligand with four N atoms and five O atoms. In addition, there is a free non coordinated carboxyl group ( CH2COO-) in the complex anion 3-. The free carboxyl group could be embellished by some biological molecules which have selectivity and affinity to tumor cell. Then the 166HoⅢ TTHA complex may become radioactive anti tumor drug having targeting function.
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.
