Information card for entry 7058841

Structure parameters

• Formula: C5 H11 Cl0 N13 Na2 O10
• Calculated formula: C5 H11 N13 Na2 O10
• SMILES: c1(c(non1)Nc1nn2c(nn1)nnc2N=N(=O)[O-])N=N([O-])=O.[Na+].[Na+].O.O.O.O.O
• Title of publication: Nitramino-furazan-functionalized fused high-nitrogen backbones as energetic materials with high detonation performance and good molecular stabilities
• Authors of publication: Zhu, Wangying; Ye, Zhiwen; Dong, Zhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 16300
• a: 6.3798 ± 0.0004 Å
• b: 9.9018 ± 0.0007 Å
• c: 26.2299 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No