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Information card for entry 4347819
Preview
| Coordinates | 4347819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C114 H70 Dy2 N4 O12 |
|---|---|
| Calculated formula | C114 H70 Dy2 N4 O12 |
| SMILES | c1(c2ccccc2cc2ccccc12)C1[O]2[Dy]34567([n]8cccc9ccc%10ccc[n]3c%10c89)([O]=C(c3c8ccccc8cc8c3cccc8)O[Dy]382([n]2cccc9ccc%10ccc[n]3c%10c29)([O]6C(c2c3ccccc3cc3ccccc23)=[O]7)([O]=1)([O]=C(O5)c1c2ccccc2cc2ccccc12)[O]=C(O8)c1c2ccccc2cc2ccccc12)[O]=C(O4)c1c2ccccc2cc2c1cccc2 |
| Title of publication | Fine-Tuning Ligand to Modulate the Magnetic Anisotropy in a Carboxylate-Bridged Dy2 Single-Molecule Magnet System. |
| Authors of publication | Wang, Yu-Ling; Han, Chang-Bao; Zhang, Yi-Quan; Liu, Qing-Yan; Liu, Cai-Ming; Yin, Shun-Gao |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 5578 - 5584 |
| a | 12.5093 ± 0.0005 Å |
| b | 13.3389 ± 0.0006 Å |
| c | 15.0003 ± 0.0006 Å |
| α | 110.723 ± 0.004° |
| β | 102.983 ± 0.004° |
| γ | 106.928 ± 0.004° |
| Cell volume | 2084 ± 0.2 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 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. |
4347819.cif |
| 232522 | 2019-11-23 | cif/ Adding structures of 4347818, 4347819, 4347820 via cif-deposit CGI script. |
4347819.cif |
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Users of the data should acknowledge the original authors of the
structural data.