Structure of the copper(II) complex of the macrocycle 1-thia-4,7-diazacyclononane with two pendant pyridine arms

Abstract

Bis(2-pyridyl-KN-methyl)- 1-thia-4,7-di- azacyclononane-x2N, N',xS)copper(II) diperchlorate, (Cu(Ca8H24N4S))(C104)2, Mr = 5909, orthorhombic, Pnma, a = 17.30 (1), b = 11.937 (7), c = 11-179 (3)/~, V = 2308-8 A 3, Z = 4, Dm = 1.68, Dx = 173 gcm -3, A(Mo Ka) = 0.71073/1,, /z = 13.2 cm-t, F(000) -- 1212, T=294K, R=0.068 for 1568 observed reflections. The copper coordination is square pyramidal with the S atom in an axial site. The CunS bond (2-496 (8)/~) is rather short. The basal plane is trapezoidally distorted. The ligand adopts a strained conformation to match the coordination properties of CuH.