Information card for entry 1100897

Structure parameters

• Formula: C23 H28 B Cl6 F4 Ir N2
• Calculated formula: C23 H28 B Cl6 F4 Ir N2
• Title of publication: Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation
• Authors of publication: Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2203 - 2209
• a: 29.6219 ± 0.0012 Å
• b: 10.7321 ± 0.0004 Å
• c: 17.8342 ± 0.0007 Å
• α: 90°
• β: 97.589 ± 0.001°
• γ: 90°
• Cell volume: 5619.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060535
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No