Information card for entry 4114857

Structure parameters

• Formula: C144 H166 B2 N4 O2 P4 Ru2
• Calculated formula: C142 H122 B2 N4 O2 P4 Ru2
• Title of publication: trans-RuH(η1-BH4)(binap)(1,2-diamine): A Catalyst for Asymmetric Hydrogenation of Simple Ketones under Base-Free Conditions
• Authors of publication: Takeshi Ohkuma; Masatoshi Koizumi; Kilian Muñiz; Gerhard Hilt; Chizuko Kabuto; Ryoji Noyori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6508 - 6509
• a: 15.722 ± 0.001 Å
• b: 27.7418 ± 0.0008 Å
• c: 30.0706 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13115.5 ± 1 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No