Information card for entry 7248500

Structure parameters

• Formula: C8 H24 O4 P2 S
• Calculated formula: C8 H24 O4 P2 S
• Title of publication: Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
• Authors of publication: Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.62801 ± 0.00013 Å
• b: 7.62801 ± 0.00013 Å
• c: 11.63 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 676.71 ± 0.02 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :1
• Hall space group symbol: P 4n 2n -1n
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0423
• Goodness-of-fit parameter for all reflections: 1.67
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.79031 Å
• Diffraction radiation type: CoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No