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Information card for entry 4349562
Preview
| Coordinates | 4349562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H66 Dy2 Mn2 N8 O20 |
|---|---|
| Calculated formula | C66 H66 Dy2 Mn2 N8 O20 |
| SMILES | N1(=[O][Dy]23456([O]7c8c([O]2CC)cccc8C=[N]2c8c([O]([Dy]9%10%11%12%13([N](c%14c(cccc%14)[O]9[Mn]9%14([N](c%15c([O]69)cccc%15)=Cc6cccc([O]%12CC)c6[O]%11%14)[O]=CN(C)C)=Cc6cccc(OCC)c6O%10)ON(=[O]%13)=O)[Mn]72([O]4c2ccccc2[N]3=Cc2cccc(OCC)c2O5)[O]=CN(C)C)cccc8)O1)=O |
| Title of publication | Tuning quantum tunnelling of magnetization through 3d–4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism |
| Authors of publication | Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 114 |
| a | 10.97 ± 0.002 Å |
| b | 16.084 ± 0.003 Å |
| c | 20.34 ± 0.003 Å |
| α | 90° |
| β | 114.546 ± 0.007° |
| γ | 90° |
| Cell volume | 3264.5 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
4349562.cif |
| 234885 | 2019-11-23 | cif/ Adding structures of 4349561, 4349562, 4349563 via cif-deposit CGI script. |
4349562.cif |
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Users of the data should acknowledge the original authors of the
structural data.