Information card for entry 7132016
| Formula |
C104 H110 Cl2 N10 O30 Zr6 |
| Calculated formula |
C104 H110 Cl2 N10 O30 Zr6 |
| Title of publication |
Zirconium Metal-organic Cage Decorated with Squaramides Imparts Dual Activation for Chemical Fixation of CO2 under Mild Conditions |
| Authors of publication |
Zhao, Xiaoli; Tang, Yue; Wang, Yuxuan; Rong, Xinjing; Wu, Pengyan; Li, Zihan; Cai, Ning; Deng, Xinyi; Wang, Jian |
| Journal of publication |
Chemical Communications |
| Year of publication |
2023 |
| a |
14.5715 ± 0.0015 Å |
| b |
15.2988 ± 0.0016 Å |
| c |
27.002 ± 0.003 Å |
| α |
79.063 ± 0.001° |
| β |
76.509 ± 0.001° |
| γ |
82.186 ± 0.002° |
| Cell volume |
5720.5 ± 1.1 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0784 |
| Residual factor for significantly intense reflections |
0.0587 |
| Weighted residual factors for significantly intense reflections |
0.1667 |
| Weighted residual factors for all reflections included in the refinement |
0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| 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/7132016.html
