Information card for entry 7235777

Structure parameters

• Formula: C4 H12 Cl2 N10 O2
• Calculated formula: C4 H12 Cl2 N10 O2
• 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: 5.186 ± 0.002 Å
• b: 7.387 ± 0.003 Å
• c: 8.416 ± 0.004 Å
• α: 109.629 ± 0.004°
• β: 96.52 ± 0.006°
• γ: 94.311 ± 0.007°
• Cell volume: 299.5 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.071
• 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