Information card for entry 4073166

Structure parameters

• Formula: C58 H66 Cl2 N2 P2 Ru
• Calculated formula: C46 H50 Cl2 N2 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](C[C@@H]3[C@@H](C[P]1(c1ccccc1)c1ccccc1)CCCC3)(c1ccccc1)c1ccccc1)[NH2][C@@H]([C@H]([NH2]2)c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Hydrogenation of Ketones with Ruthenium Complexes ofrac- and Enantiopure (S,S)-1,2-Bis((diphenylphosphino)methyl)cyclohexane: A Comparative Study withrac- and (R)-BINAP
• Authors of publication: Doherty, Simon; Knight, Julian G.; Bell, Adam L.; Harrington, Ross W.; Clegg, William
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2465
• a: 15.39 ± 0.003 Å
• b: 16.69 ± 0.005 Å
• c: 21.375 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5490 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No