Information card for entry 7215108

Structure parameters

• Formula: C8 H12 N18 O3
• Calculated formula: C8 H12 N18 O3
• SMILES: c1(c(c2[n-]nnn2)non1)Oc1c(c2[n-]nnn2)non1.C(=[NH2+])(N)N.C(=[NH2+])(N)N
• 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: 10.489 ± 0.006 Å
• b: 11.018 ± 0.006 Å
• c: 15.197 ± 0.008 Å
• α: 90°
• β: 109.451 ± 0.007°
• γ: 90°
• Cell volume: 1656 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No