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Information card for entry 7242497
Preview
| Coordinates | 7242497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H44 Dy N4 Na O10 |
|---|---|
| Calculated formula | C46 H44 Dy N4 Na O10 |
| SMILES | c12c(cccc1C=[N]1c3ccccc3[N]3=Cc4c5c(ccc4)[O](C)[Na]4678([O]5[Dy]59%1013([N](=Cc1c(c(ccc1)[O]7C)[O]49)c1ccccc1[N]5=Cc1c(c(ccc1)[O]8C)[O]6%10)O2)[OH]C)OC.CO |
| Title of publication | Regulating the distortion degree of the square antiprism coordination geometry in Dy–Na single ion magnets |
| Authors of publication | Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 17 |
| Pages of publication | 3175 - 3184 |
| a | 22.3221 ± 0.0006 Å |
| b | 11.774 ± 0.0003 Å |
| c | 16.2459 ± 0.0004 Å |
| α | 90° |
| β | 90.15 ± 0.001° |
| γ | 90° |
| Cell volume | 4269.74 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0964 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242497.cif |
| 265940 | 2021-06-05 | cif/ Updating files of 7242497, 7242498 Original log message: Adding full bibliography for 7242497--7242498.cif. |
7242497.cif |
| 263229 | 2021-03-23 | cif/ Adding structures of 7242497, 7242498 via cif-deposit CGI script. |
7242497.cif |
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Users of the data should acknowledge the original authors of the
structural data.