Information card for entry 7040383

Structure parameters

• Formula: C6 H10 N12 O9
• Calculated formula: C6 H10 N12 O9
• SMILES: N1=C(ON=C(O1)c1nonc1N=N([O-])=O)c1nonc1N=N([O-])=O.[NH4+].[NH4+].O
• Title of publication: 1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.
• Authors of publication: Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15382
• a: 8.327 ± 0.003 Å
• b: 8.515 ± 0.003 Å
• c: 10.354 ± 0.003 Å
• α: 85.243 ± 0.007°
• β: 83.98 ± 0.007°
• γ: 85.302 ± 0.007°
• Cell volume: 725.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No