Information card for entry 7102264

Structure parameters

• Formula: C29 H53 F6 O6 P5 S2
• Calculated formula: C29 H53 F6 O6 P5 S2
• SMILES: [P+]1(P([P+](P(P1C1CCCCC1)C1CCCCC1)(C)C1CCCCC1)C1CCCCC1)(C)C.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Synthesis and characterization of elusive cyclo-di- and -tri-phosphino-1,3-diphosphonium salts: fundamental frameworks in catena-organophosphorus chemistry.
• Authors of publication: Riegel, Susanne D; Burford, Neil; Lumsden, Michael D; Decken, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 4668 - 4670
• a: 11.716 ± 0.007 Å
• b: 9.356 ± 0.006 Å
• c: 18.017 ± 0.011 Å
• α: 90°
• β: 92.307 ± 0.009°
• γ: 90°
• Cell volume: 1973 ± 2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No