Information card for entry 4111353

Structure parameters

• Formula: C8 H18 F6 O6 P2 S2
• Calculated formula: C8 H18 F6 O6 P2 S2
• SMILES: FC(S(=O)(=O)[O-])(F)F.[P+](C)(C)(C)[P+](C)(C)C.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations
• Authors of publication: Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7969 - 7976
• a: 9.228 ± 0.003 Å
• b: 9.228 ± 0.003 Å
• c: 17.826 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1314.6 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No