Information card for entry 7236365

Structure parameters

• Formula: C4 H10 N10 O6
• Calculated formula: C4 H10 N10 O6
• 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: 10.035 ± 0.002 Å
• b: 6.9626 ± 0.0014 Å
• c: 16.699 ± 0.003 Å
• α: 90°
• β: 91.6 ± 0.03°
• γ: 90°
• Cell volume: 1166.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No