Mol-ecular structure of fac-[Mo(CO)(3)(DMSO)(3)].

The title compound, tri-carbonyl-tris-(dimethyl sulfoxide)-molybdenum, [Mo(C(2)H(6)OS)(3)(CO)(3)] or fac-[Mo(CO)(3)(DMSO)(3)], crystallizes in the triclinic space group P with two mol-ecules in the unit cell. The geometry around the central molybdenum is slightly distorted octa-hedral and the facial isomer is found exclusively. The packing within the crystal is stabilized by three-dimensional non-classical inter-molecular hydrogen-bonding contacts between individual methyl substituents of di-methyl sulfoxide and the oxygen atoms of either another di-methyl sulfoxide or a carbonyl ligand on adjacent complex mol-ecules. The observed bond lengths in the carbonyl ligands and between carbonyl carbon atoms and molybdenum are correlated to the observed FT-IR bands for the carbonyl stretches and compared to respective metrical parameters of related complexes.