The copper(II) complex [Cu(teta)N(CN)2](ClO4)H2O (teta = 5,7,7,12,14,14- hexamethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized and the crystal structure was determined by single-crystal X-ray diffraction....The copper(II) complex [Cu(teta)N(CN)2](ClO4)H2O (teta = 5,7,7,12,14,14- hexamethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized and the crystal structure was determined by single-crystal X-ray diffraction. Crystal data: C18H38ClCuN7O5, monoclinic, space group P21/n, a = 8.796(3), b = 11.885(4), c = 23.054(9) , b = 97.540(4)o, V = 2389.3(15) 3, Mr = 531.54, Z = 4, Dc = 1.478 g/cm3, F(000) = 1124, ?= 1.070 mm-1, the final R = 0.0566 and wR = 0.1162 for 4749 observed reflections (I > 2s(I)). The center copper ion is coordinated by five nitrogen atoms in a square pyramidal geometry, with four from the macrocyclic ligand teta and the other one from a nitrile nitrogen atom of dicyanamide which is coordinated to the metal atoms as uni-dentate manner via nitrile nitrogen atom.展开更多
基金The project was supported by the Natural Science Foundation of University of Jiangsu Province (No. 03KJB150118) and Funds of Key laboratory of Organic Synthesis of Jiangsu Province
文摘The copper(II) complex [Cu(teta)N(CN)2](ClO4)H2O (teta = 5,7,7,12,14,14- hexamethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized and the crystal structure was determined by single-crystal X-ray diffraction. Crystal data: C18H38ClCuN7O5, monoclinic, space group P21/n, a = 8.796(3), b = 11.885(4), c = 23.054(9) , b = 97.540(4)o, V = 2389.3(15) 3, Mr = 531.54, Z = 4, Dc = 1.478 g/cm3, F(000) = 1124, ?= 1.070 mm-1, the final R = 0.0566 and wR = 0.1162 for 4749 observed reflections (I > 2s(I)). The center copper ion is coordinated by five nitrogen atoms in a square pyramidal geometry, with four from the macrocyclic ligand teta and the other one from a nitrile nitrogen atom of dicyanamide which is coordinated to the metal atoms as uni-dentate manner via nitrile nitrogen atom.
