Information card for entry 7713696
| Formula |
C3 H8 N8 O3 |
| Calculated formula |
C3 H8 N8 O3 |
| Title of publication |
Combining the Advantages of 1,3,4-Oxadiazole and Tetrazole Enables High-Energy Insensitive Materials |
| Authors of publication |
Zhang, Chao; Xu, Meiqi; Dong, Wen-Shuai; Lu, Zu-Jia; Zhang, Han; Wu, Xiaowei; Li, Zhimin; Zhang, Jianguo |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2023 |
| a |
6.8816 ± 0.0006 Å |
| b |
16.816 ± 0.002 Å |
| c |
7.3514 ± 0.0006 Å |
| α |
90° |
| β |
94.342 ± 0.008° |
| γ |
90° |
| Cell volume |
848.27 ± 0.14 Å3 |
| Cell temperature |
117.65 ± 0.1 K |
| Ambient diffraction temperature |
117.65 ± 0.1 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 |
0.1064 |
| Residual factor for significantly intense reflections |
0.0635 |
| Weighted residual factors for significantly intense reflections |
0.1285 |
| Weighted residual factors for all reflections included in the refinement |
0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0634 |
| 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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https://www.crystallography.net/7713696.html
