Information card for entry 7249847

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: 10.562 ± 0.004 Å
• b: 10.716 ± 0.004 Å
• c: 10.676 ± 0.004 Å
• α: 90°
• β: 113.385 ± 0.004°
• γ: 90°
• Cell volume: 1109.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No