Information card for entry 2008001

Structure parameters

• Formula: C43 H20 F15 Ir O P2
• Calculated formula: C43 H20 F15 Ir O P2
• SMILES: [Ir]([P](c1c(c(c(c(c1F)F)F)F)F)(c1ccccc1)c1ccccc1)([P](c1c(c(c(c(c1F)F)F)F)F)(c1ccccc1)c1ccccc1)(C#[O])c1c(c(c(c(c1F)F)F)F)F
• Title of publication: <i>trans</i>-Carbonyl(pentafluorophenyl-<i>C</i>)bis[(pentafluorophenyl)diphenylphosphine-<i>P</i>]iridium(I)
• Authors of publication: John Fawcett; Eric G. Hope; Lee A. Peck
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1752 - 1753
• a: 11.695 ± 0.002 Å
• b: 11.91 ± 0.003 Å
• c: 15.535 ± 0.002 Å
• α: 72.61 ± 0.01°
• β: 79.83 ± 0.01°
• γ: 77.16 ± 0.02°
• Cell volume: 1999.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 0.976
• Goodness-of-fit parameter for significantly intense reflections: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No