Information card for entry 7038173

Structure parameters

• Formula: C14 H29 F6 O6 P3 S2
• Calculated formula: C14 H29 F6 O6 P3 S2
• SMILES: [P+](P([P+](C)(C)C)C1CCCCC1)(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 2-Phosphino-1,3-diphosphonium ions.
• Authors of publication: Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2124 - 2129
• a: 16.7757 ± 0.0019 Å
• b: 22.426 ± 0.003 Å
• c: 6.3922 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2404.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No