Information card for entry 4317701

Structure parameters

• Chemical name: Tribromohydroxyphosphonium hexafluoroarsenate
• Formula: As Br3 F6 H O P
• Calculated formula: As Br3 F6 H O P
• SMILES: [F-][As](F)(F)(F)(F)F.O[P+](Br)(Br)Br
• Title of publication: Tribromohydroxyphosphonium Hexafluorometalate: Synthesis, Spectroscopic Characterization, and Crystal Structure of Br3POH+AsF6-
• Authors of publication: Rolf Minkwitz; Markus Dzyk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1474 - 1477
• a: 12.925 ± 0.001 Å
• b: 8.716 ± 0.001 Å
• c: 8.485 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 955.87 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.0646
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for significantly intense reflections: 0.939
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No