Information card for entry 4124361

Structure parameters

• Formula: C54.78 H82.57 B Cl1.57 F4 O6 P2 Ru2
• Calculated formula: C54.784 H82.568 B Cl1.568 F4 O6 P2 Ru2
• Title of publication: Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.
• Authors of publication: Kalutharage, Nishantha; Yi, Chae S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 34
• Pages of publication: 11105 - 11114
• a: 19.85 ± 0.0004 Å
• b: 17.9759 ± 0.0003 Å
• c: 16.6953 ± 0.0003 Å
• α: 90°
• β: 107.113 ± 0.0019°
• γ: 90°
• Cell volume: 5693.49 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No