Information card for entry 7239565

Structure parameters

• Chemical name: 5-azido-3,4-dinitro-N-(2,2,2-trinitroethyl)-1H-pyrazol-1-amine
• Formula: C5 H3 N11 O10
• Calculated formula: C5 H3 N11 O10
• Title of publication: Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers
• Authors of publication: Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 3200
• a: 18.9685 ± 0.0007 Å
• b: 7.7374 ± 0.0003 Å
• c: 27.7321 ± 0.001 Å
• α: 90°
• β: 91.248 ± 0.001°
• γ: 90°
• Cell volume: 4069.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No