Chlorido[1-diphenyl-phosphanyl-3-(phenyl-sulfan-yl)propane-κ(2)P,S](η(5)-penta-methyl-cyclo-penta-dien-yl)iridium(III) chloride monohydrate

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):m858. doi: 10.1107/S1600536812021964. Epub 2012 May 31.

Abstract

The crystal structure of the title compound, [Ir(C(10)H(15))Cl(C(21)H(21)PS)]Cl·H(2)O, consists of discrete [Ir(η(5)-C(5)Me(5))Cl{Ph(2)P(CH(2))(3)SPh-κP,κS}](+) cations, chloride anions and water mol-ecules. The Ir(III) atom is coordinated by an η(5)-C(5)Me(5) ligand, a chloride and a Ph(2)P(CH(2))(3)SPh-κP,κS ligand, leading to a three-legged piano-stool geometry. In the crystal, two water molecules and two chloride anions are linked by weak O-H⋯Cl hydrogen bonding into tetra-mers that are located on centers of inversion. The H atoms of one of the methyl groups are disordered and were refined using a split model.