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Information card for entry 4349766
Preview
| Coordinates | 4349766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Dy3L8 |
|---|---|
| Formula | C80 H64 Dy3 N9 O11 |
| Calculated formula | C80 H64 Dy3 N9 O11 |
| SMILES | [Dy]12345([O]([Dy]678([O]9[Dy]%10%11%12([O]6c6c%13[n]%12c(ccc%13ccc6)C)(Oc6c%12[n]%10c(ccc%12ccc6)C)([O]7c6c7[n]%11c(ccc7ccc6)C)[n]6c7c9cccc7ccc6C)([O]1c1cccc6c1[n]4c(C)cc6)([O]2c1c2[n]3c(ccc2ccc1)C)[O]=N(=O)O8)c1cccc2c1nc(cc2)C)Oc1cccc2c1[n]5c(C)cc2 |
| Title of publication | Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]− |
| Authors of publication | Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | 1776 |
| a | 15.7278 ± 0.0005 Å |
| b | 27.8929 ± 0.001 Å |
| c | 15.8319 ± 0.0006 Å |
| α | 90° |
| β | 94.061 ± 0.001° |
| γ | 90° |
| Cell volume | 6927.9 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
4349766.cif |
| 235809 | 2019-11-24 | cif/ Adding structures of 4349765, 4349766 via cif-deposit CGI script. |
4349766.cif |
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