Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564931
Preview
| Coordinates | 1564931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H66 Cl0 Cu0 Mn3 N12 O12 |
|---|---|
| Calculated formula | C75 H66 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 | 12.341 ± 0.003 Å |
| b | 12.924 ± 0.003 Å |
| c | 27.121 ± 0.005 Å |
| α | 96.83 ± 0.03° |
| β | 91.48 ± 0.03° |
| γ | 90.6 ± 0.03° |
| Cell volume | 4293.1 ± 1.7 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 | 0.2557 |
| Residual factor for significantly intense reflections | 0.1789 |
| Weighted residual factors for significantly intense reflections | 0.4393 |
| Weighted residual factors for all reflections included in the refinement | 0.5042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
1564931.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.