Information card for entry 7057447

Structure parameters

• Formula: C4 H10 N10 O7
• Calculated formula: C4 H10 N10 O7
• Title of publication: Synthesis and properties of 5,5′-dinitramino-3,3′-bi(1,2,4-oxadiazole) and its energetic salts
• Authors of publication: Cao, Yupeng; Huang, Haifeng; Lin, Xiangyang; Yang, Jun; Gong, Xuedong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11390
• a: 7.7918 ± 0.0003 Å
• b: 10.4242 ± 0.0004 Å
• c: 29.289 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2378.95 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No