Information card for entry 7058264

Structure parameters

• Common name: DCBNT
• Chemical name: Biscarbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]
• Formula: C6 H16 N18 O6
• Calculated formula: C6 H16 N18 O6
• Title of publication: Synthesis, characterization and properties of a novel energetic ionic salt: dicarbohydrazide bis[3-(5-nitroimino-1,2,4-triazole)]
• Authors of publication: Ren, Jianrong; Chen, Dong; Fan, Guijuan; Xiong, Ying; Zhang, Zhenqi; Yu, Yanwu; Li, Hongzhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6422
• a: 4.8647 ± 0.0003 Å
• b: 25.2903 ± 0.0017 Å
• c: 6.7166 ± 0.0005 Å
• α: 90°
• β: 99.765 ± 0.007°
• γ: 90°
• Cell volume: 814.37 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No