Information card for entry 7123336

Structure parameters

• Formula: C4 H2 N8
• Calculated formula: C4 H2 N8
• Title of publication: Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials
• Authors of publication: wang, qian; Shao, Yanli; Lu, Ming
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.814 ± 0.002 Å
• b: 11.758 ± 0.003 Å
• c: 15.119 ± 0.004 Å
• α: 90°
• β: 102.668 ± 0.006°
• γ: 90°
• Cell volume: 1355.3 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No