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Information card for entry 1564932
Preview
| Coordinates | 1564932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269954 (current) | 2021-10-15 | cif/ Adding structures of 1564927, 1564928, 1564929, 1564930, 1564931, 1564932, 1564933, 1564934 via cif-deposit CGI script. |
1564932.cif |
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