Information card for entry 7110830

Structure parameters

• Common name: (bis(2-diphenylphosphinoethyl)phenylphosphine)tris(sigma-allyl)iridium
• Formula: C50 H56 Ir P3
• Calculated formula: C43 H45 Ir P3
• Title of publication: Chemistry of M(allyl)3 (M = Rh, Ir) compounds: structural characterization of tris(allyl)iridium complexes with phosphorus ligands
• Authors of publication: John, Kevin D.; Scott, Brian L.; Baker, R. Thomas; Sattelberger, Alfred P.; Salazar, Kenneth V.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 581
• a: 11.2226 ± 0.0005 Å
• b: 25.4429 ± 0.0013 Å
• c: 16.3141 ± 0.0008 Å
• α: 90°
• β: 106.45 ± 0.001°
• γ: 90°
• Cell volume: 4467.6 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No