{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 6)"],"submitter":["Ludwig G"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m858"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379193"],"repository":["biostudies-literature"],"pubmed_title":["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."],"pmcid":["PMC3379193"],"pubmed_authors":["Ruffer T","Ludwig G","Steinborn D","Lang H","Korb M"],"additional_accession":[]},"is_claimable":false,"name":"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.","description":"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.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jun","modification":"2026-04-18T03:10:29.685Z","creation":"2019-03-27T00:54:42Z"},"accession":"S-EPMC3379193","cross_references":{"pubmed":["22719391"],"doi":["10.1107/S1600536812021964"]}}