title: Crystal structure of chlorido-(η(2)-phenyl iso-thio-cyanate-κ(2) C,S)-mer-tris-(tri-methyl-phosphane-κP)iridium(I).
abstract: 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.
authors.affiliation: Department of Chemistry 0212, Virginia Tech, Blacksburg, VA 24061, USA.
authors.forename: Joseph S
authors.initials: JS
authors.lastname: Merola
authors.affiliation: Department of Chemistry 0212, Virginia Tech, Blacksburg, VA 24061, USA.
authors.forename: Arthur W
authors.initials: AW
authors.lastname: Grieb
keywords: crystal structure; iridium complex; phenyl iso­thio­cyanate