Information card for entry 7239680

Structure parameters

• Common name: CBNT
• Chemical name: carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]
• Formula: C5 H14 N14 O7
• Calculated formula: C5 H14 N14 O7
• Title of publication: Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents
• Authors of publication: Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 593 - 601
• a: 6.5011 ± 0.0008 Å
• b: 10.2497 ± 0.0012 Å
• c: 11.0964 ± 0.0013 Å
• α: 97.74 ± 0.01°
• β: 99.84 ± 0.011°
• γ: 90.131 ± 0.01°
• Cell volume: 721.64 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1036
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No