Information card for entry 7123337

Structure parameters

• Formula: C4 H10 N12 O3
• Calculated formula: C4 H10 N12 O3
• 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: 5.9556 ± 0.0006 Å
• b: 27.8 ± 0.003 Å
• c: 6.8014 ± 0.0006 Å
• α: 90°
• β: 98.966 ± 0.003°
• γ: 90°
• Cell volume: 1112.32 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No