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Information card for entry 7236661
Preview
| Coordinates | 7236661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H6 N10 O4 |
|---|---|
| Calculated formula | C6 H6 N10 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 | 4.5053 ± 0.0005 Å |
| b | 10.492 ± 0.0013 Å |
| c | 12.3817 ± 0.0017 Å |
| α | 83.323 ± 0.004° |
| β | 82.161 ± 0.005° |
| γ | 85.293 ± 0.004° |
| Cell volume | 574.57 ± 0.12 Å3 |
| Cell temperature | 172 ± 2 K |
| Ambient diffraction temperature | 172 ± 2 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 | 0.1252 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
7236661.cif |
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Users of the data should acknowledge the original authors of the
structural data.