Information card for entry 7039533

Structure parameters

• Formula: C62 H50 Cl F6 N3 O P3 Ru
• Calculated formula: C62 H50 Cl F6 N3 O P3 Ru
• Title of publication: Optimum bifunctionality in a 2-(2-pyridyl-2-ol)-1,10-phenanthroline based ruthenium complex for transfer hydrogenation of ketones and nitriles: impact of the number of 2-hydroxypyridine fragments.
• Authors of publication: Paul, Bhaskar; Chakrabarti, Kaushik; Kundu, Sabuj
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11162 - 11171
• a: 10.058 ± 0.005 Å
• b: 23.924 ± 0.005 Å
• c: 22.914 ± 0.005 Å
• α: 90°
• β: 98.455 ± 0.005°
• γ: 90°
• Cell volume: 5454 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No