Research Article: Chlorido[1-diphenyl­phosphanyl-3-(phenyl­sulfan­yl)propane-κ2P,S](η5-penta­methyl­cyclo­penta­dien­yl)iridium(III) chloride monohydrate

Date Published: June 01, 2012

Publisher: International Union of Crystallography

Author(s): Gerd Ludwig, Marcus Korb, Tobias Rüffer, Heinrich Lang, Dirk Steinborn.


The crystal structure of the title compound, [Ir(C10H15)Cl(C21H21PS)]Cl·H2O, consists of discrete [Ir(η5-C5Me5)Cl{Ph2P(CH2)3SPh-κP,κS}]+ cations, chloride anions and water mol­ecules. The IrIII atom is coordinated by an η5-C5Me5 ligand, a chloride and a Ph2P(CH2)3SPh-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 tetra­mers 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.

Partial Text

Analogous iridium(III) complexes with Ph2PCH2SPh ligands have been described by Valderrama et al. (1997) ▶. For arene ruthenium(II) complexes having ω-diphenyl­phosphanyl-functionalized alkyl phenyl sulfide ligands Ph2P(CH2)nSPh (n = 1–3), see: Ludwig et al. (2012 ▶). For an overview of the strength of hydrogen bonds, see: Steiner (2002 ▶).




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