Information card for entry 7231973

Structure parameters

• Formula: C2 H6 N8 Na2 O7
• Calculated formula: C2 H6 N8 Na2 O7
• SMILES: c1(nnc(N=N([O-])=O)nn1)N=N(=O)[O-].[Na+].O.[Na+].O.O
• Title of publication: Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials
• Authors of publication: Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 765
• a: 8.8499 ± 0.0018 Å
• b: 12.469 ± 0.003 Å
• c: 6.0807 ± 0.0012 Å
• α: 90°
• β: 129.15 ± 0.03°
• γ: 90°
• Cell volume: 520.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No