Information card for entry 7713695
| Formula |
C6 H16 Ca N14 O10 |
| Calculated formula |
C6 H16 Ca N14 O10 |
| 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 |
5.563 ± 0.0005 Å |
| b |
9.2316 ± 0.0008 Å |
| c |
10.4531 ± 0.0011 Å |
| α |
102.789 ± 0.008° |
| β |
98.212 ± 0.008° |
| γ |
104.552 ± 0.008° |
| Cell volume |
495.39 ± 0.09 Å3 |
| Cell temperature |
115.7 ± 0.1 K |
| Ambient diffraction temperature |
115.7 ± 0.1 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0817 |
| Residual factor for significantly intense reflections |
0.0582 |
| Weighted residual factors for significantly intense reflections |
0.1357 |
| Weighted residual factors for all reflections included in the refinement |
0.1577 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
| 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/7713695.html
