Information card for entry 4304914

Structure parameters

• Formula: C60 H50 Cl N O4 P4 Ru S
• Calculated formula: C60 H50 Cl N O4 P4 Ru S
• SMILES: [Ru]1(Cl)([S](=O)=O)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.058 ± 0.0011 Å
• b: 12.8985 ± 0.0012 Å
• c: 19.6961 ± 0.0019 Å
• α: 78.641 ± 0.002°
• β: 72.408 ± 0.002°
• γ: 63.987 ± 0.002°
• Cell volume: 2616.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No