Information card for entry 7219606

Structure parameters

• Formula: C5 H8 N9 O5.5
• Calculated formula: C5 H8 N9 O5.5
• Title of publication: A new family of energetic salts based on oxy-bridged bis(dinitromethyl)furazan: syntheses, characterization and properties
• Authors of publication: Li, Hui; Zhao, Feng-Qi; Wang, Bozhou; Zhai, Lian-jie; Lai, Wei-Peng; Liu, Ning
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.873 ± 0.009 Å
• b: 11.275 ± 0.007 Å
• c: 14.334 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2242 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No