Information card for entry 1100898

Structure parameters

• Formula: C28 H34 Br Ir N2
• Calculated formula: C24.5 H30.02 Br 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: 34.958 ± 0.003 Å
• b: 7.5715 ± 0.0006 Å
• c: 17.765 ± 0.0014 Å
• α: 90°
• β: 98.403 ± 0.002°
• γ: 90°
• Cell volume: 4651.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060536
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No