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Information card for entry 7225590
Preview
| Coordinates | 7225590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H8 N10 O5 |
|---|---|
| Calculated formula | C3 H8 N10 O5 |
| SMILES | o1nc(N=N([O-])=O)c(n1)c1[n-]nnn1.O[NH3+].O[NH3+] |
| Title of publication | Thermally Stable Energetic Salts Based on 3-Nitramino-4-tetrazole-furazan |
| Authors of publication | Huang, Haifeng; Shi, Yameng; Li, Ying; Liu, Yanfang; Yang, Jun |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.13 ± 0.0012 Å |
| b | 8.1314 ± 0.0014 Å |
| c | 9.0571 ± 0.0015 Å |
| α | 83.381 ± 0.003° |
| β | 71.653 ± 0.003° |
| γ | 72.486 ± 0.003° |
| Cell volume | 475.18 ± 0.14 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183709 (current) | 2016-06-18 | cif/ Adding structures of 7225590 via cif-deposit CGI script. |
7225590.cif |
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Users of the data should acknowledge the original authors of the
structural data.