Information card for entry 7236366

Structure parameters

• Formula: C19 H16 Br F3 N2 O4
• Calculated formula: C19 H16 Br F3 N2 O4
• Title of publication: Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts
• Authors of publication: Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1769
• a: 9.3074 ± 0.0019 Å
• b: 10.844 ± 0.002 Å
• c: 18.529 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No