Information card for entry 2214947

Structure parameters

• Chemical name: 3,5-Dinitro-2-fluorobenzoic acid‒ammonia (1/1)
• Formula: C7 H6 F N3 O6
• Title of publication: 2-Fluoro-3,5-dinitrobenzoic acid‒ammonia (1/1)
• Authors of publication: Zhong, H.; Yang, X.-M.; Xie, H.-L.; Luo, C.-J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3831
• a: 25.08 ± 0.02 Å
• b: 6.214 ± 0.003 Å
• c: 12.237 ± 0.004 Å
• α: 90°
• β: 112.004 ± 0.001°
• γ: 90°
• Cell volume: 1768.2 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No