Structure of tris(benzothiazole-N)trichlororhodium(III) nitromethane solvate.

ABSTRACT

mer-[RhCl3(C7H5NS)3].CH3NO2, Mr = 675.87, monoclinic, P21/n, a = 10.915 (2), b = 19.869 (4), c = 12.328 (3) A, beta = 103.13 (7) degrees, V = 2604 (1) A3, Z = 4, Dx = 1.724 g cm-3, lambda(Mo K alpha) = 0.71037 A, mu = 12.15 cm-1, F(000) = 1352, T = 298 K, final R = 0.0297 for 4459 unique observed reflections. The complex was prepared as part of a series of complexes of RhIII with heterocyclic ligands of the type RhL3X3. On the basis of spectral data alone, the assignment of the geometry as mer or fac and the mode of coordination through N or S were ambiguous, so the X-ray structure of the title complex was determined. The Rh is coordinated to three Cl and three N atoms to give an approximately octahedral, meridional complex. The potentially ambidentate benzothiazole coordinates to the metal through the N atom of the thiazole ring. The average Rh--N and Rh--Cl distances are 2.064 (5) and 2.34 (2) A, respectively.