Information card for entry 4336074

Structure parameters

• Chemical name: Chloro(μ^4^-1,5-cyclooctadiene)[1,3-bis(2,4,6-triisopropylbenzyl)- (5,6-dimethyl)benzimidazol-2-ylidene] iridium(I)
• Formula: C49 H70 Cl Ir N2
• Calculated formula: C49 H70 Cl Ir N2
• Title of publication: N-Benzyl Substituted N-Heterocyclic Carbene Complexes of Iridium(I): Assessment in Transfer Hydrogenation Catalyst
• Authors of publication: Süleyman Gülcemal; Aytaç Gürhan Gökçe; Bekir Çetinkaya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10601 - 10609
• a: 16.8968 ± 0.0002 Å
• b: 16.8968 ± 0.0002 Å
• c: 32.295 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9220.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No