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Information card for entry 7714453
Preview
| Coordinates | 7714453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 Dy N9 O10 |
|---|---|
| Calculated formula | C20 H24 Dy N9 O10 |
| SMILES | [Dy]1234567([n]8c9C=[N]5CCC[N]3=Cc3[n]1c(C=[N]2CCC[N]4=Cc8ccc9)ccc3)(ON(=[O]6)=O)ON(=[O]7)=O.O=N(=O)[O-].O |
| Title of publication | Influence of Symmetry on the Magneto-Optical Properties of a Bifunctional Macrocyclic DyIII Complex |
| Authors of publication | Gil, Yolimar; de Santana, Ricardo Costa; Vega, Andres; Aravena, Daniel; Spodine, Evgenia |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 13.4207 ± 0.0018 Å |
| b | 18.561 ± 0.003 Å |
| c | 11.3906 ± 0.0015 Å |
| α | 90° |
| β | 112.65 ± 0.002° |
| γ | 90° |
| Cell volume | 2618.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287569 (current) | 2023-11-14 | cif/ Adding structures of 7714453 via cif-deposit CGI script. |
7714453.cif |
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