Crystal structure of chlorido-(η(2)-phenyl iso-thio-cyanate-κ(2) C,S)-mer-tris-(tri-methyl-phosphane-κP)iridium(I).

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International Union of Crystallography

The molecule of the title compound, [IrCl(C7H5NS)(C3H9P)3], is a distorted octa-hedral iridium complex with three PMe3 ligands arranged in a meridional geometry, a chloride ion cis to all three PMe3 groups and the phenyl iso-thio-cyanate ligand bonded in an η(2)-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 octa-hedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl iso-thio-cyanates, as well as with examples of uncomplexed aryl iso-thio-cyanates.

crystal structure, iridium complex, phenyl iso­thio­cyanate
Merola, J. S., A. W. Grieb (2014). Crystal structure of chlorido­(η2-phenyl iso­thio­cyanate-κ2C,S)-mer-tris­­(tri­methyl­phosphane-κP)iridium(I). Acta Crystallographica Section E, 70(11), 352-354. doi:doi:10.1107/S160053681402162X