Information card for entry 7249208
| Formula |
C5 H3 N9 O6 |
| Calculated formula |
C5 H3 N9 O6 |
| Title of publication |
Asymmetric functionalized modification of bi(1,2,4-triazole) towards high-energy insensitive materials |
| Authors of publication |
Dong, Wen-Shuai; Zhang, Chao; Xu, Meiqi; Lu, Zu-Jia; Li, Zhimin; Yu, Qiyao; Zhang, Jianguo |
| Journal of publication |
CrystEngComm |
| Year of publication |
2024 |
| a |
9.4075 ± 0.0006 Å |
| b |
10.5966 ± 0.0007 Å |
| c |
10.7909 ± 0.0007 Å |
| α |
75.498 ± 0.006° |
| β |
87.29 ± 0.005° |
| γ |
88.701 ± 0.005° |
| Cell volume |
1040.21 ± 0.12 Å3 |
| Cell temperature |
117.4 ± 0.14 K |
| Ambient diffraction temperature |
117.4 ± 0.14 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 |
0.0539 |
| Residual factor for significantly intense reflections |
0.0427 |
| Weighted residual factors for significantly intense reflections |
0.0953 |
| Weighted residual factors for all reflections included in the refinement |
0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
| 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/7249208.html
