Information card for entry 4117860

Structure parameters

• Formula: C27 H34 Ir P
• Calculated formula: C27 H34 Ir P
• Title of publication: Cationic Ir(III) Alkylidenes Are Key Intermediates in C-H Bond Activation and C-C Bond-Forming Reactions
• Authors of publication: Jesús Campos; Joaquín López-Serrano; Eleuterio Álvarez; Ernesto Carmona
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 7165 - 7175
• a: 11.8563 ± 0.0011 Å
• b: 16.3032 ± 0.0015 Å
• c: 12.3373 ± 0.001 Å
• α: 90°
• β: 99.002 ± 0.002°
• γ: 90°
• Cell volume: 2355.4 ± 0.4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No