Information card for entry 7040384

Structure parameters

• Formula: C6 H8 N12 O10
• Calculated formula: C6 H8 N12 O10
• SMILES: O1C(=NOC(=N1)c1c(non1)N=N([O-])=O)c1c(non1)N=N([O-])=O.O[NH3+].[NH3+]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: 12.4121 ± 0.0019 Å
• b: 4.1853 ± 0.0007 Å
• c: 14.866 ± 0.002 Å
• α: 90°
• β: 113.46 ± 0.003°
• γ: 90°
• Cell volume: 708.43 ± 0.19 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No