Information card for entry 7236371

Structure parameters

• Formula: C4 H6 K N9 O6
• Calculated formula: C4 H6 K N9 O6
• Title of publication: 3,4-Dinitro-1-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine (HANTP) and its salts: primary and secondary explosives
• Authors of publication: Fu, Wei; Zhao, Baojing; Zhang, Man; Li, Chuan; Gao, Huiqi; Zhang, Jun; Zhou, Zhiming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 5044
• a: 17.0656 ± 0.0018 Å
• b: 6.8365 ± 0.0008 Å
• c: 19.3505 ± 0.0016 Å
• α: 90°
• β: 93.333 ± 0.009°
• γ: 90°
• Cell volume: 2253.8 ± 0.4 ų
• Cell temperature: 105.5 K
• Ambient diffraction temperature: 105.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No