Information card for entry 4513818

Structure parameters

• Formula: C38 H36 Cl F6 N3 O4 P2 Ru
• Calculated formula: C38 H36 Cl F6 N3 O4 P2 Ru
• 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: 14.0112 ± 0.0003 Å
• b: 9.7442 ± 0.0002 Å
• c: 27.2179 ± 0.0019 Å
• α: 90°
• β: 94.215 ± 0.007°
• γ: 90°
• Cell volume: 3706 ± 0.3 ų
• Cell temperature: 85 K
• Ambient diffraction temperature: 85 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No