Crystal and molecular structure of bis(perchlorato)(γ-C-meso-5,5,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)copper(II)

Abstract

Crystals of bis(perchlorato) (γ-C-meso-5,5,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)copper(II) are monoclinic, a = 14.061(1), b = 8.908(1), c = 19.710(1) Å, β = 90.912(5)°, Z = 4, space group P21/c. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to a final R of 0.054 and Rw of 0.069 for 2945 reflections with I ≥ 3σ(I). The copper(II) ion has tetragonally distorted octahedral coordination geometry. The four nitrogen atoms of the macrocyclic ligand occupy the equatorial sites and two perchlorate oxygen atoms are in the axial positions. Bond lengths (corrected for libration) are: Cu—N, 2.024(4)–2.051(4), Cu—O, 2.657(5) and 2.697(5), Cl—O, 1.420(4)–1.473(6), N—C, 1.463(6)–1.508(6), and C—C, 1.498(8)–1.542(8) Å.