Information card for entry 7236661
| 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 |
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https://www.crystallography.net/7236661.html
