Information card for entry 7239681
| Formula |
C8 H22 N12 O6 |
| Calculated formula |
C8 H22 N12 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 |
6.0311 ± 0.0002 Å |
| b |
6.9489 ± 0.0002 Å |
| c |
11.1061 ± 0.0004 Å |
| α |
77.437 ± 0.001° |
| β |
89.786 ± 0.001° |
| γ |
75.146 ± 0.001° |
| Cell volume |
438.46 ± 0.03 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0396 |
| Residual factor for significantly intense reflections |
0.0353 |
| Weighted residual factors for significantly intense reflections |
0.0905 |
| Weighted residual factors for all reflections included in the refinement |
0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7239681.html
