Information card for entry 4312542

Structure parameters

• Formula: C51 H42 N2 O2 P2 Ru
• Calculated formula: C51 H42 N2 O2 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Oc3ccc(cc3[N]1=Nc1c(cccc21)C)C)C#[O]
• Title of publication: An Unprecedented Oxidative Migration of a Methyl Group from 2-(2',6'-Dimethylphenylazo)-4-methylphenol Mediated by Ruthenium and Osmium
• Authors of publication: Rama Acharyya; Shie-Ming Peng; Gene-Hsiang Lee; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7378 - 7380
• a: 18.1758 ± 0.0007 Å
• b: 12.0548 ± 0.0004 Å
• c: 20.6448 ± 0.0008 Å
• α: 90°
• β: 112.663 ± 0.001°
• γ: 90°
• Cell volume: 4174.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No