Information card for entry 4323446

Structure parameters

• Chemical name: [2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)-(methyl-ph= enyl-sulfoxide)-ruthenium]hexafluorophosphate
• Formula: C40 H41 F6 O P3 Ru S
• Calculated formula: C40 H41 F6 O P3 Ru S
• Title of publication: Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1
• Authors of publication: Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2372 - 2378
• a: 14.1664 ± 0.0013 Å
• b: 15.792 ± 0.002 Å
• c: 17.641 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3946.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1281
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No