Information card for entry 7236066

Structure parameters

• Formula: C3 H7 N9 O4
• Calculated formula: C3 H7 N9 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: 7.304 ± 0.002 Å
• b: 6.3952 ± 0.0018 Å
• c: 18.719 ± 0.005 Å
• α: 90°
• β: 90.354 ± 0.004°
• γ: 90°
• Cell volume: 874.4 ± 0.4 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: 0.0405
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0847
• 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