Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate
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,...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812021964 |
| _version_ | 1819125161475964928 |
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| author | Gerd Ludwig Marcus Korb Tobias Rüffer Heinrich Lang Dirk Steinborn |
| author_facet | Gerd Ludwig Marcus Korb Tobias Rüffer Heinrich Lang Dirk Steinborn |
| author_sort | Gerd Ludwig |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-22T07:35:44Z |
| format | Article |
| id | doaj.art-37a496b1e16641fab1e06648fd93bc88 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T07:35:44Z |
| publishDate | 2012-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-37a496b1e16641fab1e06648fd93bc882022-12-21T18:33:54ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-06-01686m858m85810.1107/S1600536812021964Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrateGerd LudwigMarcus KorbTobias RüfferHeinrich LangDirk SteinbornThe 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.http://scripts.iucr.org/cgi-bin/paper?S1600536812021964 |
| spellingShingle | Gerd Ludwig Marcus Korb Tobias Rüffer Heinrich Lang Dirk Steinborn Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate Acta Crystallographica Section E |
| title | Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate |
| title_full | Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate |
| title_fullStr | Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate |
| title_full_unstemmed | Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate |
| title_short | Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ2P,S](η5-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate |
| title_sort | chlorido 1 diphenylphosphanyl 3 phenylsulfanyl propane amp 954 2p s amp 951 5 pentamethylcyclopentadienyl iridium iii chloride monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812021964 |
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