Information card for entry 7055495

Structure parameters

• Formula: C4 H8 N16 O2
• Calculated formula: C4 H8 N16 O2
• SMILES: n1(nnnc1N=Nc1n(nnn1)O)[O-].[nH]1nc([n+](N)c1)NN
• 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: 7.972 ± 0.0006 Å
• b: 8.1923 ± 0.0008 Å
• c: 10.269 ± 0.0009 Å
• α: 90.378 ± 0.001°
• β: 110.218 ± 0.002°
• γ: 115.52 ± 0.002°
• Cell volume: 558.28 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1465
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.279
• Weighted residual factors for all reflections included in the refinement: 0.3041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No