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

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(?(5)-C(5)Me(5))Cl{Ph(2)P(CH(2))(3)SPh-?P,?S}](+) cations, chloride anions and water mol-ecules. The Ir(III) atom is coordinated by an ?(5)-C(5)Me(5) ligand, a chloride and a Ph(2)P(CH(2))(3)SPh-?P,?S 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.

SUBMITTER: Ludwig G

PROVIDER: S-EPMC3379193 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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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.

Ludwig Gerd G Korb Marcus M Rüffer Tobias T Lang Heinrich H Steinborn Dirk D

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

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 loca ...[more]

PMID: 22719391

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