Information card for entry 7239682
| Formula |
C4 H8 N10 O6 |
| Calculated formula |
C4 H8 N10 O6 |
| Title of publication |
Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents |
| Authors of publication |
Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen |
| Journal of publication |
CrystEngComm |
| Year of publication |
2020 |
| Journal volume |
22 |
| Journal issue |
3 |
| Pages of publication |
593 - 601 |
| a |
5.246 ± 0.0002 Å |
| b |
17.8848 ± 0.0007 Å |
| c |
6.3117 ± 0.0002 Å |
| α |
90° |
| β |
112.398 ± 0.002° |
| γ |
90° |
| Cell volume |
547.51 ± 0.04 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.037 |
| Residual factor for significantly intense reflections |
0.0342 |
| Weighted residual factors for significantly intense reflections |
0.0877 |
| Weighted residual factors for all reflections included in the refinement |
0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
| 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/7239682.html
