Information card for entry 7219607

Structure parameters

• Formula: C6 H8 N10 O11
• Calculated formula: C6 H8 N10 O11
• SMILES: N(=O)(=O)C(=N([O-])=O)c1nonc1Oc1nonc1C(=N([O-])=O)N(=O)=O.[NH4+].[NH4+]
• 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: 7.691 ± 0.004 Å
• b: 9.29 ± 0.005 Å
• c: 10.564 ± 0.005 Å
• α: 94.504 ± 0.008°
• β: 104.174 ± 0.007°
• γ: 100.366 ± 0.007°
• Cell volume: 713.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No