Information card for entry 4064194

Structure parameters

• Formula: C35 H49 Cl Ir O P
• Calculated formula: C35 H49 Cl Ir O P
• Title of publication: Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines
• Authors of publication: Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1668
• a: 9.7647 ± 0.0002 Å
• b: 9.8404 ± 0.0002 Å
• c: 16.6899 ± 0.0003 Å
• α: 97.466 ± 0.001°
• β: 99.549 ± 0.001°
• γ: 99.555 ± 0.001°
• Cell volume: 1538.96 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0232
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No