Information card for entry 7235794

Structure parameters

• Formula: C4 H9 N12 O2.5
• Calculated formula: C4 H9 N12 O2.5
• Title of publication: 3-Nitro-1-(2H-tetrazol-5-yl)-1H-1,2,4-triazol-5-amine (HANTT) and its energetic salts: highly thermally stable energetic materials with low sensitivity
• Authors of publication: Bian, Chengming; Zhang, Man; Li, Chuan; Zhou, Zhiming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 163
• a: 7.0181 ± 0.0017 Å
• b: 8.833 ± 0.002 Å
• c: 18.795 ± 0.006 Å
• α: 84.76 ± 0.009°
• β: 84.24 ± 0.008°
• γ: 68.063 ± 0.009°
• Cell volume: 1073.5 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No