Information card for entry 7249848

Structure parameters

• Formula: C5 H7 Cl N8 O6
• Calculated formula: C5 H7 Cl N8 O6
• Title of publication: Dinitramide salts based on nitropyrazole-diaminotriazole hybrid: novel ionic energetic materials with high-energy and low-sensitivity.
• Authors of publication: Cai, Jinxiong; Xia, Yingqi; Zhang, Hui; Su, Dongshuai; Lai, Qi; Yin, Ping; Pang, Siping
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2025
• a: 6.4651 ± 0.0006 Å
• b: 7.921 ± 0.0008 Å
• c: 11.0538 ± 0.001 Å
• α: 87.914 ± 0.002°
• β: 85.143 ± 0.002°
• γ: 83.423 ± 0.002°
• Cell volume: 560.12 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No