Information card for entry 7055493

Structure parameters

• Formula: C2 H8 N8 O6
• Calculated formula: C2 H8 N8 O6
• SMILES: [nH]1nc([n+](N)c1)N[NH3+].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: 7.9601 ± 0.0018 Å
• b: 15.917 ± 0.004 Å
• c: 7.096 ± 0.0016 Å
• α: 90°
• β: 106.398 ± 0.003°
• γ: 90°
• Cell volume: 862.5 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.079
• 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