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Information card for entry 7231973
Preview
Coordinates | 7231973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H6 N8 Na2 O7 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7231973.html
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