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Information card for entry 4349633
Preview
| Coordinates | 4349633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H42 Dy2 F12 O14 |
|---|---|
| Calculated formula | C56 H42 Dy2 F12 O14 |
| SMILES | C[O]1c2cccc3c2[O]2[Dy]4561(OC(C(F)(F)F)=CC(=[O]4)c1ccccc1)([O](c1cccc4c1[O]5[Dy]152([O]3C)([O]=C(C=C(O5)C(F)(F)F)c2ccccc2)([O]4C)OC(C(F)(F)F)=CC(=[O]1)c1ccccc1)C)[O]=C(C=C(O6)C(F)(F)F)c1ccccc1 |
| Title of publication | Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets |
| Authors of publication | Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 499 |
| a | 9.7688 ± 0.0006 Å |
| b | 12.7894 ± 0.0008 Å |
| c | 13.0685 ± 0.0008 Å |
| α | 113.112 ± 0.006° |
| β | 105.241 ± 0.005° |
| γ | 99.434 ± 0.005° |
| Cell volume | 1381.69 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1449 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349633.cif |
| 234928 | 2019-11-23 | cif/ Adding structures of 4349632, 4349633, 4349634 via cif-deposit CGI script. |
4349633.cif |
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Users of the data should acknowledge the original authors of the
structural data.