Information card for entry 7236064

Structure parameters

• Formula: C2 H8 N8 O6
• Calculated formula: C2 H8 N8 O6
• 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: 3.9086 ± 0.0013 Å
• b: 7.562 ± 0.003 Å
• c: 14.93 ± 0.005 Å
• α: 95.806 ± 0.005°
• β: 91.521 ± 0.005°
• γ: 101.793 ± 0.005°
• Cell volume: 429.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No