Information card for entry 7038233

Structure parameters

• Chemical name: [(HO-C5H3N-CH2-C5H3N-C5H4N)Ru(PPh3)2OH][PF6]
• Formula: C52 H44 F6 N3 O2 P3 Ru
• Calculated formula: C52 H43 F6 N3 O2 P3 Ru
• SMILES: c1cccc2c3cccc4Cc5cccc([n]5[Ru]([n]12)([n]34)([OH2])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ruthenium complexes bearing an unsymmetrical pincer ligand with a 2-hydroxypyridylmethylene fragment: active catalysts for transfer hydrogenation of ketones.
• Authors of publication: Shi, Jing; Hu, Bowen; Gong, Dawei; Shang, Shu; Hou, Guangfeng; Chen, Dafa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4828 - 4834
• a: 11.597 ± 0.011 Å
• b: 26.18 ± 0.02 Å
• c: 19.079 ± 0.018 Å
• α: 90°
• β: 96.784 ± 0.011°
• γ: 90°
• Cell volume: 5752 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1457
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No