Information card for entry 2226198

Structure parameters

• Chemical name: 4-Bromoanilinium hexafluorophosphate monohydrate
• Formula: C6 H9 Br F6 N O P
• Calculated formula: C6 H9 Br F6 N O P
• Title of publication: 4-Bromoanilinium hexafluorophosphate monohydrate
• Authors of publication: Yang, Yong-le; Fu, Xue-qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1430
• a: 14.646 ± 0.008 Å
• b: 5.075 ± 0.003 Å
• c: 15.314 ± 0.008 Å
• α: 90°
• β: 94.697 ± 0.011°
• γ: 90°
• Cell volume: 1134.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes