Information card for entry 4072313

Structure parameters

• Formula: C24 H29 F6 I Ir N2 Sb
• Calculated formula: C24 H29 F6 I Ir N2 Sb
• SMILES: [IrH]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)(=C1C=CN(c2ccc3ccc[n]4c3c12)CCCC)I.[F-][Sb](F)(F)(F)(F)F
• 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: 14.5088 ± 0.0004 Å
• b: 12.9346 ± 0.0003 Å
• c: 14.1699 ± 0.0004 Å
• α: 90°
• β: 99.892 ± 0.001°
• γ: 90°
• Cell volume: 2619.67 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No