Information card for entry 7110829

Structure parameters

• Common name: (triphenylphosphine)(sigma-allyl)bis(pi-allyl)iridium
• Formula: C54 H60 Ir2 P2
• Calculated formula: C27 H28 Ir P
• 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: 9.2972 ± 0.0004 Å
• b: 15.7287 ± 0.0007 Å
• c: 16.6995 ± 0.0008 Å
• α: 73.249 ± 0.001°
• β: 82.344 ± 0.001°
• γ: 79.303 ± 0.001°
• Cell volume: 2289.49 ± 0.18 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No