Information card for entry 2006501

Structure parameters

• Chemical name: Carbonylchloro[2-(diphenylphosphanyl)thiophenolato-P,S]hydridotriphenyl phosphaneiridium(III)-Dichloromethane-(4:1)-Solvate
• Formula: C37.25 H30.5 Cl1.5 Ir O P2 S
• Calculated formula: C37.25 H30.5 Cl1.5 Ir O P2 S
• Title of publication: Carbonylchloro[2-(diphenylphosphino)thiophenolato-<i>P</i>,<i>S</i>]hydrido(triphenylphosphine-<i>P</i>)iridium(III)‒Dichloromethane Solvate (4/1)
• Authors of publication: Dahlenburg, Lutz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1190 - 1192
• a: 13.869 ± 0.001 Å
• b: 12.606 ± 0.002 Å
• c: 19.699 ± 0.005 Å
• α: 90°
• β: 96.94 ± 0.01°
• γ: 90°
• Cell volume: 3418.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.1672
• Weighted residual factors for significantly intense reflections: 0.1462
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No