The synthesis, crystal, molecular and electronic structure of trichloro(nitrosyl)bis(triphenylphosphine oxide)rhenium(II)

A new rhenium nitrosyl complex has been synthesized and characterized by IR, electronic and P-31 NMR spectroscopy and magnetochemical measurements. Its electronic structure has been determined (Dq = 3333, Ds = -4732 and Dt = 387 cm(-1)). The crystal and molecular structure of [ReCl3(NO)(OPPh3)(2)] has been solved by the heavy atom method and refined anisotropically to R = 0.466 for 3032 unique observed reflections. The title compound crystallizes in the monoclinic space group C2/c, with a = 13.887(2), b = 13.154(2), c = 19.629(4) Angstrom, beta = 96.78(2)degrees and Z = 4. The Re atom is of six-coordinate distorted octahedral configuration and the linear nitrosyl ligand is trans to one of triphenylphosphine oxide molecules. The OPPh3 groups of [ReCl3(NO)(OPPh3)(2)] are in cis positions.