Information card for entry 4503869

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: 14.861 ± 0.0007 Å
• b: 14.861 ± 0.0007 Å
• c: 44.007 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8416.8 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No