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Information card for entry 1557511
Preview
| Coordinates | 1557511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C108 H72 Cu4 O24 S4 |
|---|---|
| Calculated formula | C108 H72 Cu4 O24 S4 |
| Title of publication | On/off porosity switching and post-assembly modifications of Cu4L4 metal–organic polyhedra |
| Authors of publication | Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 14 |
| Pages of publication | 3664 - 3671 |
| a | 14.151 ± 0.003 Å |
| b | 32.563 ± 0.007 Å |
| c | 26.766 ± 0.005 Å |
| α | 90° |
| β | 102.26 ± 0.03° |
| γ | 90° |
| Cell volume | 12052 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.2226 |
| Weighted residual factors for all reflections included in the refinement | 0.2406 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557511.cif |
| 257356 | 2020-10-06 | cif/ Updating files of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 Original log message: Adding full bibliography for 1557506--1557512.cif. |
1557511.cif |
| 251600 | 2020-05-05 | cif/ Updating files of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 Original log message: Adding full bibliography for 1557506--1557512.cif. |
1557511.cif |
| 249104 | 2020-03-06 | cif/ Adding structures of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 via cif-deposit CGI script. |
1557511.cif |
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Users of the data should acknowledge the original authors of the
structural data.