Information card for entry 4503873

Structure parameters

• Formula: C6 H2 Br N3 O6
• Calculated formula: C6 H2 Br N3 O6
• Title of publication: Polymorphs of Picryl Bromide
• Authors of publication: Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 57
• a: 14.9086 ± 0.0001 Å
• b: 14.9083 ± 0.0001 Å
• c: 22.6784 ± 0.0002 Å
• α: 95.245 ± 0.001°
• β: 90.116 ± 0.001°
• γ: 119.896 ± 0.001°
• Cell volume: 4344.89 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No