Information card for entry 7236067

Structure parameters

• Formula: C3 H8 N10 O4
• Calculated formula: C3 H8 N10 O4
• Title of publication: Nitrogen-rich energetic 4-R-5-nitro-1,2,3-triazolate salts (R = –CH3, –NH2, –N3, –NO2 and –NHNO2) as high performance energetic materials
• Authors of publication: Liu, Long; Zhang, Yanqiang; Li, Zhimin; Zhang, Suojiang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 28
• Pages of publication: 14768
• a: 6.553 ± 0.002 Å
• b: 8.471 ± 0.003 Å
• c: 9.078 ± 0.003 Å
• α: 93.386 ± 0.005°
• β: 91.224 ± 0.007°
• γ: 98.007 ± 0.005°
• Cell volume: 497.9 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No