Information card for entry 7055491

Structure parameters

• Formula: C8 H11 N9 O10
• Calculated formula: C8 H11 N9 O10
• SMILES: c1(NN)[nH]nc[n+]1N.c1([O-])c(c(c(c(c1N(=O)=O)O)N(=O)=O)O)N(=O)=O.O
• Title of publication: Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties
• Authors of publication: Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 5414
• a: 15.483 ± 0.003 Å
• b: 5.4173 ± 0.001 Å
• c: 19.632 ± 0.003 Å
• α: 90°
• β: 114.484 ± 0.012°
• γ: 90°
• Cell volume: 1498.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No