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Information card for entry 7234199
Preview
| Coordinates | 7234199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | EIFD dy TPPO |
|---|---|
| Formula | C60 H48 Dy F9 N3 O7 P |
| Calculated formula | C60 H48 Dy F9 N3 O7 P |
| SMILES | [Dy]123(OC(=CC(=[O]1)C(F)(F)F)c1c4ccccc4n(CC)c1)([O]=C(C(F)(F)F)C=C(O2)c1cn(CC)c2c1cccc2)(OC(=CC(=[O]3)C(F)(F)F)c1c2ccccc2n(c1)CC)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization |
| Authors of publication | Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 4407 - 4415 |
| a | 12.96 ± 0.005 Å |
| b | 13.524 ± 0.005 Å |
| c | 18.921 ± 0.005 Å |
| α | 70.34 ± 0.005° |
| β | 81.202 ± 0.005° |
| γ | 62.275 ± 0.005° |
| Cell volume | 2764.4 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234199.cif |
| 218874 | 2019-09-26 | cif/ Adding structures of 7234196, 7234197, 7234198, 7234199 via cif-deposit CGI script. |
7234199.cif |
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Users of the data should acknowledge the original authors of the
structural data.