Information card for entry 4344585

Structure parameters

• Formula: C25.4 H26.4 B Cl Ir N4 O P
• Calculated formula: C25.398 H21.4 B Cl Ir N4 O P
• Title of publication: Nucleophilicity and P-C Bond Formation Reactions of a Terminal Phosphanido Iridium Complex.
• Authors of publication: Serrano, Ángel L; Casado, Miguel A.; Ciriano, Miguel A.; de Bruin, Bas; López, José A; Tejel, Cristina
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 828 - 839
• a: 9.2577 ± 0.0006 Å
• b: 12.0642 ± 0.0008 Å
• c: 12.3424 ± 0.0008 Å
• α: 110.704 ± 0.0007°
• β: 97.3629 ± 0.0007°
• γ: 96.9675 ± 0.0008°
• Cell volume: 1258.04 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No