Information card for entry 7248509

Structure parameters

• Formula: C4 H12 Br P
• Calculated formula: C4 H12 Br P
• 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: 7.02188 ± 0.00005 Å
• b: 7.02188 ± 0.00005 Å
• c: 10.03217 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 428.383 ± 0.007 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for all reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0191
• Goodness-of-fit parameter for all reflections: 1.6492
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.78892 Å
• Diffraction radiation type: CoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No