Information card for entry 7239680
| Common name |
CBNT |
| Chemical name |
carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)] |
| Formula |
C5 H14 N14 O7 |
| Calculated formula |
C5 H14 N14 O7 |
| 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 |
6.5011 ± 0.0008 Å |
| b |
10.2497 ± 0.0012 Å |
| c |
11.0964 ± 0.0013 Å |
| α |
97.74 ± 0.01° |
| β |
99.84 ± 0.011° |
| γ |
90.131 ± 0.01° |
| Cell volume |
721.64 ± 0.15 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293.15 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 |
0.1036 |
| Residual factor for significantly intense reflections |
0.0597 |
| Weighted residual factors for significantly intense reflections |
0.1394 |
| Weighted residual factors for all reflections included in the refinement |
0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| Diffraction radiation probe |
x-ray |
| 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/7239680.html
