Information card for entry 7215105

Structure parameters

• Formula: C8 H16 N22 O3
• Calculated formula: C8 H16 N22 O3
• SMILES: o1nc(Oc2nonc2c2[n-]nnn2)c(n1)c1[n-]nnn1.[NH2+]=C(NN)NN.[NH2+]=C(NN)NN
• Title of publication: Oxy-bridged bis(1H-tetrazol-5-yl)furazan and its energetic salts paired with nitrogen-rich cations: highly thermally stable energetic materials with low sensitivity
• Authors of publication: Liang, Lixuan; Huang, Haifeng; Wang, Kai; Bian, Chengming; Song, Jinhong; Ling, Liming; Zhao, Fengqi; Zhou, Zhiming
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 41
• Pages of publication: 21954
• a: 7.102 ± 0.002 Å
• b: 10.781 ± 0.003 Å
• c: 12.643 ± 0.004 Å
• α: 100.98 ± 0.005°
• β: 100.11 ± 0.004°
• γ: 92.151 ± 0.003°
• Cell volume: 933 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No