Information card for entry 7215106

Structure parameters

• Formula: C13 H18 N28 O11
• Calculated formula: C13 H18 N28 O11
• SMILES: o1nc(Oc2nonc2c2[n-]nnn2)c(n1)c1nnn[nH]1.o1nc(Oc2nonc2c2[n-]nnn2)c(n1)c1nnn[nH]1.O=C(N[NH3+])N[NH3+].O.O.O.O
• 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: 12.2118 ± 0.001 Å
• b: 9.2324 ± 0.0005 Å
• c: 13.7527 ± 0.0014 Å
• α: 90°
• β: 114.505 ± 0.004°
• γ: 90°
• Cell volume: 1410.9 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No