Information card for entry 7251278

Structure parameters

• Formula: C7 H27 N20 O8
• Calculated formula: C7 H27 N20 O8
• Title of publication: Nitrogen-Rich Energetic Salts of 5,5'-Dinitramino-3,3'-Methylene-1H-1,2,4-Bistriazolate: powerful alliance towards good thermal stability and high performance
• Authors of publication: Yanna, Wang; Yang, Xiaoming; Li, Xinrui; Zhao, Jun; Wang, Qi; Zhang, Tonglai; Li, Zhimin
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 21.17 ± 0.004 Å
• b: 4.5087 ± 0.0009 Å
• c: 23.576 ± 0.005 Å
• α: 90°
• β: 103.79 ± 0.03°
• γ: 90°
• Cell volume: 2185.4 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No