Information card for entry 4304918

Structure parameters

• Formula: C48 H42 Cl N2 O5 P4 Ru
• Calculated formula: C48 H42 Cl N2 O5 P4 Ru
• SMILES: [Ru]12(Cl)([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(N=P(O2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[OH2]
• Title of publication: Ruthenium Complexes with Tetraphenylimidodiphosphinate: Syntheses, Structures, and Applications to Catalytic Organic Oxidation
• Authors of publication: Wai-Man Cheung; Ho-Yuen Ng; Ian D. Williams; Wa-Hung Leung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4383 - 4391
• a: 11.3808 ± 0.0015 Å
• b: 32.987 ± 0.004 Å
• c: 12.6875 ± 0.0016 Å
• α: 90°
• β: 112.504 ± 0.002°
• γ: 90°
• Cell volume: 4400.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No