Information card for entry 7225590

Structure parameters

• Formula: C3 H8 N10 O5
• Calculated formula: C3 H8 N10 O5
• SMILES: o1nc(N=N([O-])=O)c(n1)c1[n-]nnn1.O[NH3+].O[NH3+]
• Title of publication: Thermally Stable Energetic Salts Based on 3-Nitramino-4-tetrazole-furazan
• Authors of publication: Huang, Haifeng; Shi, Yameng; Li, Ying; Liu, Yanfang; Yang, Jun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.13 ± 0.0012 Å
• b: 8.1314 ± 0.0014 Å
• c: 9.0571 ± 0.0015 Å
• α: 83.381 ± 0.003°
• β: 71.653 ± 0.003°
• γ: 72.486 ± 0.003°
• Cell volume: 475.18 ± 0.14 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0449
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No