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Information card for entry 7236664
Preview
| Coordinates | 7236664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H8 N12 O4 |
|---|---|
| Calculated formula | C5 H8 N12 O4 |
| Title of publication | Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties |
| Authors of publication | Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2239 |
| a | 15.6882 ± 0.0015 Å |
| b | 4.8817 ± 0.0005 Å |
| c | 16.3623 ± 0.0017 Å |
| α | 90° |
| β | 118.492 ± 0.004° |
| γ | 90° |
| Cell volume | 1101.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.094 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236397 (current) | 2019-11-24 | cif/ Adding structures of 7236661, 7236662, 7236663, 7236664 via cif-deposit CGI script. |
7236664.cif |
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Users of the data should acknowledge the original authors of the
structural data.