Information card for entry 7247756
| Formula |
C4 H8 N10 |
| Calculated formula |
C4 H8 N10 |
| SMILES |
n1(N)c(nnc1N)Cn1nnnc1N |
| Title of publication |
N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives |
| Authors of publication |
Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi |
| Journal of publication |
CrystEngComm |
| Year of publication |
2024 |
| Journal volume |
26 |
| Journal issue |
2 |
| Pages of publication |
143 - 152 |
| a |
9.0488 ± 0.0014 Å |
| b |
13.078 ± 0.002 Å |
| c |
6.7239 ± 0.0012 Å |
| α |
90° |
| β |
101.968 ± 0.005° |
| γ |
90° |
| Cell volume |
778.4 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0832 |
| Residual factor for significantly intense reflections |
0.0678 |
| Weighted residual factors for significantly intense reflections |
0.1607 |
| Weighted residual factors for all reflections included in the refinement |
0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.093 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7247756.html
