Information card for entry 7232780
| Formula |
C21 H19 N12 O4 Zn2 |
| Calculated formula |
C21 H17 N12 O4 Zn2 |
| Title of publication |
A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid |
| Authors of publication |
Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao |
| Journal of publication |
CrystEngComm |
| Year of publication |
2019 |
| Journal volume |
21 |
| Journal issue |
24 |
| Pages of publication |
3679 |
| a |
19.885 ± 0.006 Å |
| b |
21.893 ± 0.006 Å |
| c |
14.279 ± 0.004 Å |
| α |
90° |
| β |
126.457 ± 0.003° |
| γ |
90° |
| Cell volume |
5000 ± 2 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
12 |
| Hermann-Mauguin space group symbol |
C 1 2/m 1 |
| Hall space group symbol |
-C 2y |
| Residual factor for all reflections |
0.068 |
| Residual factor for significantly intense reflections |
0.0548 |
| Weighted residual factors for significantly intense reflections |
0.2038 |
| Weighted residual factors for all reflections included in the refinement |
0.2144 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.226 |
| 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/7232780.html
