Information card for entry 7040385

Structure parameters

• Formula: C10 H10 N18 O8
• Calculated formula: C10 H10 N18 O8
• SMILES: C1(=NOC(=NO1)c1c(non1)N=N([O-])=O)c1c(non1)N=N([O-])=O.[nH]1c[n+](cn1)N.c1n[nH]c[n+]1N
• 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: 8.248 ± 0.002 Å
• b: 16.509 ± 0.004 Å
• c: 7.2536 ± 0.0017 Å
• α: 90°
• β: 97.398 ± 0.005°
• γ: 90°
• Cell volume: 979.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0592
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No