Information card for entry 7235830

Structure parameters

• Formula: C4 H6 N10 O4
• Calculated formula: C4 H6 N10 O4
• Title of publication: The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts
• Authors of publication: Bian, Chengming; Dong, Xiao; Zhang, Xiuhui; Zhou, Zhiming; Zhang, Man; Li, Chuan
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 3594
• a: 10.426 ± 0.004 Å
• b: 5.185 ± 0.002 Å
• c: 17.876 ± 0.007 Å
• α: 90°
• β: 96.238 ± 0.005°
• γ: 90°
• Cell volume: 960.6 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No