Information card for entry 4108685

Structure parameters

• Formula: C40 H36 F6 O6 P4 S2
• Calculated formula: C40 H36 F6 O6 P4 S2
• SMILES: [P+](P(P([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.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: 8.761 ± 0.005 Å
• b: 27.114 ± 0.017 Å
• c: 17.578 ± 0.011 Å
• α: 90°
• β: 96.807 ± 0.011°
• γ: 90°
• Cell volume: 4146 ± 4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.1051
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No