Crystal structure of chlorido(η2-phenyl isothiocyanate-κ2C,S)-mer-tris(trimethylphosphane-κP)iridium(I)

Abstract

The molecule of the title compound, [IrCl(C7H5NS)(C3H9P)3], is a distorted octahedral iridium complex with three PMe3 ligands arranged in a meridional geometry, a chloride ion cis to all three PMe3 groups and the phenyl isothiocyanate ligand bonded in an η2-fashion through the C and S atoms. The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octahedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl isothiocyanates, as well as with examples of uncomplexed aryl isothiocyanates.

Keywords

• crystal structure
• iridium complex
• phenyl isothiocyanate