Information card for entry 4115631

Structure parameters

• Common name: RuH2(R-binap)(tmen)
• Formula: C50 H50 N2 P2 Ru
• Calculated formula: C50 H50 N2 P2 Ru
• SMILES: [RuH2]12([P](c3c(c4c(cc3)cccc4)c3c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc31)(c1ccccc1)c1ccccc1)[NH2]C(C([NH2]2)(C)C)(C)C
• Title of publication: Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes
• Authors of publication: Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7473 - 7474
• a: 14.4792 ± 0.0002 Å
• b: 14.5693 ± 0.0002 Å
• c: 19.7456 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4165.37 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No