Information card for entry 4311409

Structure parameters

• Formula: C52 H44 N2 O2 P2 Ru
• Calculated formula: C52 H44 N2 O2 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Oc3c([N]1=Nc1c2cc(C)cc1C)cc(C)cc3)C#[O]
• Title of publication: Unprecedented Migration of a Methyl Group in 2-(2',6'-Dimethylphenylazo)-4-methylphenol Mediated by Ruthenium
• Authors of publication: Sumon Nag; Parna Gupta; Ray J. Butcher; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4814 - 4816
• a: 18.343 ± 0.008 Å
• b: 12.071 ± 0.004 Å
• c: 20.628 ± 0.013 Å
• α: 90°
• β: 109.9 ± 0.02°
• γ: 90°
• Cell volume: 4295 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No