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Information card for entry 1573256
Preview
| Coordinates | 1573256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C760 H564 Cd16 N96 O16 |
|---|---|
| Calculated formula | C760 H564 Cd16 N96 O16 |
| Title of publication | Dynamic selection in metallo-organic cube CdⅡ8L4 conformations induced by perfluorooctanoate encapsulation |
| Authors of publication | Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yuming; Zhang, Zhe; Wu, Tun; Wang, Pingshan |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 28.333 ± 0.003 Å |
| b | 43.635 ± 0.004 Å |
| c | 40.669 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 50280 ± 9 Å3 |
| Cell temperature | 101 K |
| Ambient diffraction temperature | 101 K |
| Number of distinct elements | 5 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.1581 |
| Residual factor for significantly intense reflections | 0.1346 |
| Weighted residual factors for significantly intense reflections | 0.3925 |
| Weighted residual factors for all reflections included in the refinement | 0.4217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.826 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296073 (current) | 2024-11-23 | cif/ Adding structures of 1573256 via cif-deposit CGI script. |
1573256.cif |
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Users of the data should acknowledge the original authors of the
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