Information card for entry 7251279

Structure parameters

• Formula: C5 H9 N11 O5
• Calculated formula: C5 H9 N11 O5
• 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: 4.279 ± 0.0004 Å
• b: 8.6368 ± 0.0008 Å
• c: 30.854 ± 0.003 Å
• α: 90°
• β: 92.692 ± 0.003°
• γ: 90°
• Cell volume: 1139.01 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1037
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No