Information card for entry 4108686

Structure parameters

• Formula: C10 H24 F6 O6 P4 S2
• Calculated formula: C10 H24 F6 O6 P4 S2
• SMILES: [P+](P(P([P+](C)(C)C)C)C)(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 2,3-Diphosphino-1,4-diphosphonium Ions
• Authors of publication: Yuen-ying Carpenter; C. Adam Dyker; Neil Burford; Michael D. Lumsden; Andreas Decken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15732 - 15741
• a: 12.431 ± 0.002 Å
• b: 13.52 ± 0.003 Å
• c: 13.883 ± 0.003 Å
• α: 90°
• β: 94.872 ± 0.003°
• γ: 90°
• Cell volume: 2324.8 ± 0.8 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 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: 0.0548
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No