Information card for entry 7207300

Structure parameters

• Formula: C8 H14 N18
• Calculated formula: C8 H14 N18
• SMILES: c1([n-]nnn1)/N=N/c1[n-]nnn1.c1cn(C)n[n+]1N.c1cn(C)n[n+]1N
• Title of publication: Energetic salts based on 1-amino-1,2,3-triazole and 3-methyl-1-amino-1,2,3-triazole
• Authors of publication: Lin, Qiu-Han; Li, Yu-Chuan; Li, Ya-Yu; Wang, Zhu; Liu, Wei; Qi, Cai; Pang, Si-Ping
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 666
• a: 5.681 ± 0.0016 Å
• b: 7.222 ± 0.002 Å
• c: 19.096 ± 0.006 Å
• α: 90°
• β: 97.778 ± 0.004°
• γ: 90°
• Cell volume: 776.3 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0935
• 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