Information card for entry 7221188

Structure parameters

• Formula: C3 H8 N10 O
• Calculated formula: C3 H8 N10 O
• SMILES: n1(nnnc1[O-])N.n1[nH+]c(n(N)c1)N
• Title of publication: Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability
• Authors of publication: Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 74
• Pages of publication: 60005
• a: 6.07 ± 0.0006 Å
• b: 7.1682 ± 0.0007 Å
• c: 10.6018 ± 0.0009 Å
• α: 76.852 ± 0.001°
• β: 88.343 ± 0.002°
• γ: 65.406 ± 0.001°
• Cell volume: 407.32 ± 0.07 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: 0.1121
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No