Information card for entry 4072311

Structure parameters

• Formula: C23 H31 F6 I Ir N2 P
• Calculated formula: C23 H31 F6 I Ir N2 P
• Title of publication: Pyridine-Based N-Heterocyclic Carbene Hydride Complexes of Iridium via C−H Activation
• Authors of publication: Song, Guoyong; Zhang, Yao; Su, Yan; Deng, Weiqiao; Han, Keli; Li, Xingwei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6193
• a: 11.3177 ± 0.0002 Å
• b: 12.8037 ± 0.0003 Å
• c: 17.9585 ± 0.0004 Å
• α: 90°
• β: 91.143 ± 0.001°
• γ: 90°
• Cell volume: 2601.82 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No