Information card for entry 4124362

Structure parameters

• Formula: C58 H88 B F4 O9 P2 Ru2
• Calculated formula: C58 H88 B F4 O9 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: 11.44999 ± 0.00018 Å
• b: 11.75213 ± 0.00019 Å
• c: 23.6747 ± 0.0002 Å
• α: 96.5819 ± 0.001°
• β: 100.933 ± 0.001°
• γ: 111.462 ± 0.0015°
• Cell volume: 2851.36 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No