Structural studies on metal complexes of chiral cyclen. II. Chloro[(2R,5R,8R,11R)‐1,4,7,10‐tetrabenzyl‐2,5,8,11‐tetraethyl‐1,4,7,10‐tetraazacyclododecane]copper(II) chloride, and related complexes

Three related metal complexes, C 16H36CIECuN4 [tetragonal, space group P4~2m2, a = b = 15.564 (2), c = 9 .843(1)A, U = 2384.5 (6) A 3, z = 4 , D o : 1.30, D e = 1.298 Mg m -3, final R = 5.5% for 1246 observed reflections], C44H60CI2CuN4 [orthorhombic, space group C222~, a = 15.487(9), b = 2 0 . 0 1 3 ( 9 ) , c = 14.287 (7) A, U = 4 4 2 9 ( 4 ) A 3, Z = 4 , D o= 1.31, D e = 1.27 Mg m -3, final R = 7.0% for 1780 observed reflections], and C44H60CI2CoN4 [orthorhombic, space group C222 r a = 15.31(1), b = 19.84(1), c = 15.02 (1) A, U = 4566 (6) A 3, Z = 4, D O = 1.26, D c = 9567-7408/82/010107-05501.00 1.24 Mg m -3 (first crystal); a = 15.37(1), b = 20.07(1), c = 14.54(1)A, U = 4 4 8 9 ( 6 ) A 3, Z = 4 , D o = 1.26, D C = 1.26 Mg m -3 (second crystal); final R = 12.4% for 741 observed reflections], were studied. The 12-membered ligand ring forms a square conformation. The metal atoms form a square-pyramidal structure with five coordination. The deviations of metal atoms from the plane formed by the four N atoms are 0.544 (3) and 0.73 (1)A for Cu and Co respectively. Markedly short apical metal-chlorine distances are observed; viz. 2.42 (2)A for Cu and 2.26 (1) A for Co. © 1982 International Union of Crystallography