Information card for entry 7235778

Structure parameters

• Formula: C4 H8 N12 O6
• Calculated formula: C4 H8 N12 O6
• Title of publication: Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials
• Authors of publication: Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 38
• Pages of publication: 15978
• a: 7.2555 ± 0.0015 Å
• b: 8.827 ± 0.0018 Å
• c: 9.796 ± 0.002 Å
• α: 90°
• β: 105.7 ± 0.03°
• γ: 90°
• Cell volume: 604 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No