The crystal and molecular structure of nitrosyldicarbonylbis(triphenylphosphine)manganese, Mn(NO)(CO)2(P(CeH5)3)2, has been determined from three-dimensional X-ray data collected by counter methods. The material crystallizes in space group D2h 15-Pbca of the orthorhombic system with eight molecules in a cell of dimensions a = 18,15, b = 17.07, and c = 21.86 A. The observed and calculated densities are 1.31 g/cm. Least-squares refinement of the structure has led to a final value of the conventional R factor of 0.073 for the 1337 reflections having F2 >σF2). The nitrosyl group has been distinguished from the carbonyl groups with reasonable certainty on the basis of differences in root-mean-square amplitudes of vibration of the various atoms. The crystal structure consists of the packing of well-separated monomeric molecular units. In the molecular structure, the Mn atom is at the center of a trigonal bipyramid and is coplanar with the NO and CO groups; the two P(CeH5)3 groups are at the apices of the trigonal bipyramid and hence are trans to one another. The Mn-P distances are 2.278 and 2.279 (±0.005) A; the Mn-N distance is 1.73 ± 0.01 A, and the Mn-C distances are 1.75 and 1.78 (±0.02) A.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry