Information card for entry 1100896

Structure parameters

• Formula: C21 H26 Br Ir N2
• Calculated formula: C21 H26 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: 8.6482 ± 0.0008 Å
• b: 10.7943 ± 0.001 Å
• c: 11.8122 ± 0.0011 Å
• α: 64.442 ± 0.001°
• β: 75.631 ± 0.002°
• γ: 88.124 ± 0.002°
• Cell volume: 960.17 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060534
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No