STRUCTURE REDETERMINATION OF CARBONATOBIS(ETHYLENEDIAMINE)COBALT(III) CHLORIDE

Abstract

(OC-6-22)-Carbonato-kappa2O-bis(ethylenediamine-kappa2N)cobalt(III) chloride, [Co(CO3)(C2H8-N2)2]Cl, M(r) = 274.59, orthorhombic, Pca2(1), a = 10.754 (4), b = 11.084(3), c = 8.564 (2) angstrom, V = 1020.8 (5) angstrom3, Z = 4, D(x) = 1.79 g cm-3, lambda(Mo Kalpha) = 0.71073 angstrom, mu = 19.3 cm-1, F(000) = 568, T = 293 K, final conventional R = 0.022 for 1051 observed reflections and 184 variables. The structure of the title compound and its orientation with respect to the polar axis were determined by X-ray diffraction. The average Co-N distance is 1.955 (3) angstrom and the average Co-O distance is 1.911 (3) angstrom. The O(1)-Co-O(2) bite angle is 69.2 (1)degrees and the average N-Co-N bite angle is 85.9 (3)degrees. The Co(III) coordination is pseudo-octahedral, consisting of two oxygen ligands in cis positions and two adjacent ethylenediamine ligands. The two enantiomers, showing LAMBDA and DELTA configurations around the metal centre, are in the unit cell. The ethylenediamine ligands show a lambda chelate ring conformation in the A enantiometer and a delta conformation in the DELTA enantiomer, with N-C-C-N torsion angles of 53.2 (5) and 51.1 (5)degrees. The ideal Co(1)-O(1)...O(2) plane was found to be 4.9 (1)degrees out of the ideal O(1)-C(5)-O(2)...O(3) plane.