Information card for entry 4312543

Structure parameters

• Formula: C51 H42 N2 O2 Os P2
• Calculated formula: C51 H42 N2 O2 Os P2
• SMILES: [Os]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: 18.2014 ± 0.0001 Å
• b: 12.0662 ± 0.0001 Å
• c: 20.6995 ± 0.0002 Å
• α: 90°
• β: 112.727 ± 0.0004°
• γ: 90°
• Cell volume: 4193.09 ± 0.06 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: 0.0728
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No