Information card for entry 4064911

Structure parameters

• Formula: C31 H36 N P Ru
• Calculated formula: C31 H36 N P Ru
• SMILES: [Ru]123456([P](c7c(N1C)cccc7)(c1ccccc1)c1ccccc1)([c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C)CC
• Title of publication: Phosphine‒Amido Complexes of Ruthenium and Mechanistic Implications for Ketone Transfer Hydrogenation Catalysis
• Authors of publication: Hounjet, Lindsay J.; Ferguson, Michael J.; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4108
• a: 9.8986 ± 0.0012 Å
• b: 18.572 ± 0.002 Å
• c: 14.3074 ± 0.0018 Å
• α: 90°
• β: 94.151 ± 0.001°
• γ: 90°
• Cell volume: 2623.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No