Information card for entry 7221187

Structure parameters

• Formula: C2 H8 N8 O
• Calculated formula: C2 H8 N8 O
• SMILES: n1(nnnc1[O-])N.[NH2+]=C(N)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: 12.7785 ± 0.0011 Å
• b: 6.41 ± 0.0006 Å
• c: 16.5787 ± 0.0015 Å
• α: 90°
• β: 93.303 ± 0.001°
• γ: 90°
• Cell volume: 1355.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No