Information card for entry 4106403

Structure parameters

• Formula: C71 H75 Cl N2 O6 P2 Ru
• Calculated formula: C71 H75 Cl N2 O6 P2 Ru
• SMILES: [Ru]123(Cl)([P](c4cc(C)cc(C)c4)(c4cc(C)cc(C)c4)c4ccc5OCOc5c4c4c5OCOc5ccc4[P]1(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)[NH2][C@](c1ccc(OC)cc1)(c1ccc(OC)cc31)[C@@H]([NH2]2)C(C)C.c1ccccc1
• Title of publication: Chiral Ruthenabicyclic Complexes: Precatalysts for Rapid, Enantioselective, and Wide-Scope Hydrogenation of Ketones
• Authors of publication: Kazuhiko Matsumura; Noriyoshi Arai; Kiyoto Hori; Takao Saito; Noboru Sayo; Takeshi Ohkuma
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10696 - 10699
• a: 13.7017 ± 0.0008 Å
• b: 12.657 ± 0.0006 Å
• c: 20.2986 ± 0.0015 Å
• α: 90°
• β: 103.648 ± 0.008°
• γ: 90°
• Cell volume: 3420.8 ± 0.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No