Information card for entry 7248507

Structure parameters

• Formula: C8 H20 Br P
• Calculated formula: C8 H20 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: 14.5323 ± 0.0006 Å
• b: 14.5323 ± 0.0006 Å
• c: 28.7233 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5253.3 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.0736
• Goodness-of-fit parameter for all reflections: 3.8867
• 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