Information card for entry 4067362

Structure parameters

• Formula: C72 H72 Cl2 N4 O P2 Ru
• Calculated formula: C72 H72 Cl2 N4 O P2 Ru
• Title of publication: Benzimidazoles as Ligands in the Ruthenium-Catalyzed Enantioselective Bifunctional Hydrogenation of Ketones
• Authors of publication: Praetorius, Jeremy M.; Wang, Ruiyao; Crudden, Cathleen M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 554
• a: 12.5121 ± 0.0016 Å
• b: 22.639 ± 0.003 Å
• c: 21.756 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6162.6 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No