Information card for entry 1564932
| Formula |
C75 H66 Cl Cu Mn3 N12 O12 |
| Calculated formula |
C75 H66 Cl Cu Mn3 N12 O12 |
| Title of publication |
Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework |
| Authors of publication |
Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J. |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
12.308 ± 0.003 Å |
| b |
12.898 ± 0.003 Å |
| c |
30.822 ± 0.006 Å |
| α |
94.7 ± 0.03° |
| β |
95.44 ± 0.03° |
| γ |
92.66 ± 0.03° |
| Cell volume |
4847.3 ± 1.9 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.2104 |
| Residual factor for significantly intense reflections |
0.1375 |
| Weighted residual factors for significantly intense reflections |
0.3446 |
| Weighted residual factors for all reflections included in the refinement |
0.4077 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.99 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
Synchrotron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1564932.html
