Virginia Tech. Department of ChemistryMerola, Joseph S.Grieb, Aarthur W.2016-09-222016-09-222014-11-01Merola, 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/S160053681402162Xhttp://hdl.handle.net/10919/73026The 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.9 pagesapplication/pdfCreative Commons Attribution 4.0 Internationalcrystal structureiridium complexphenyl isothiocyanateCrystal structure of chlorido-(η(2)-phenyl iso-thio-cyanate-κ(2) C,S)-mer-tris-(tri-methyl-phosphane-κP)iridium(I).Article - RefereedActa Crystallographica Section E: Structure Reports Onlinehttps://doi.org/10.1107/S160053681402162X70Pt 11http://scripts.iucr.org/cgi-bin/paper?S160053681402162X1600-5368