Information card for entry 4513821

Structure parameters

• Formula: C69 H53 N6 O5 P2 Ru2
• Calculated formula: C69 H53 N6 O5 P2 Ru2
• Title of publication: Simple Ligand Modifications with Pendent OH Groups Dramatically Impact the Activity and Selectivity of Ruthenium Catalysts for Transfer Hydrogenation: The Importance of Alkali Metals
• Authors of publication: Moore, Cameron M.; Bark, Byongjoo; Szymczak, Nathaniel K.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1981
• a: 38.209 ± 0.002 Å
• b: 13.4891 ± 0.0003 Å
• c: 24.3071 ± 0.0004 Å
• α: 90°
• β: 118.199 ± 0.007°
• γ: 90°
• Cell volume: 11041.1 ± 1 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No