Information card for entry 2224355

Structure parameters

• Chemical name: 3-Bromoanilinium picrate
• Formula: C12 H9 Br N4 O7
• Calculated formula: C12 H9 Br N4 O7
• Title of publication: 3-Bromoanilinium picrate
• Authors of publication: Li, Yan-jun; Zhao, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3218
• a: 4.3515 ± 0.0003 Å
• b: 12.0757 ± 0.0008 Å
• c: 14.0592 ± 0.0009 Å
• α: 87.783 ± 0.001°
• β: 85.945 ± 0.001°
• γ: 80.533 ± 0.001°
• Cell volume: 726.61 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes