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Information card for entry 1564490
Preview
| Coordinates | 1564490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | H?CF3SO3 |
|---|---|
| Formula | C372.49 H342.99 Co8 F48 N72 O68.49 S16 |
| Calculated formula | C344.25 H261 Co8 F24.75 N72 O24.75 S8.25 |
| Title of publication | Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites |
| Authors of publication | Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 61.6062 ± 0.0005 Å |
| b | 61.6062 ± 0.0005 Å |
| c | 38.3057 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 125905 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1845 |
| Residual factor for significantly intense reflections | 0.1208 |
| Weighted residual factors for significantly intense reflections | 0.3476 |
| Weighted residual factors for all reflections included in the refinement | 0.4006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.306 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268332 (current) | 2021-09-01 | cif/ Adding structures of 1564489, 1564490, 1564491, 1564492, 1564493 via cif-deposit CGI script. |
1564490.cif |
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Users of the data should acknowledge the original authors of the
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