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Information card for entry 4349561
Preview
| Coordinates | 4349561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C78 H94 Co2 Dy2 N12 O24 |
|---|---|
| Calculated formula | C78 H94 Co2 Dy2 N12 O24 |
| SMILES | c12ccccc1[N]1=Cc3c(O[Dy]45671([O]12[Co]289([N](c%10c([O]2[Dy]2%11%12%13%14([N](c%15c(cccc%15)[O]92[Co]291([N](c1c([O]72)cccc1)=Cc1cccc([O]%13CC)c1[O]%129)[O]=CN(C)C)=Cc1cccc(OCC)c1O%11)ON(=[O]%14)=O)cccc%10)=Cc1cccc([O]5CC)c1[O]48)[O]=CN(C)C)ON(=[O]6)=O)c(OCC)ccc3.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C |
| 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 | 11.8868 ± 0.0011 Å |
| b | 11.8963 ± 0.0011 Å |
| c | 14.6976 ± 0.0013 Å |
| α | 90.589 ± 0.002° |
| β | 94.01 ± 0.002° |
| γ | 98.338 ± 0.003° |
| Cell volume | 2050.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| 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. |
4349561.cif |
| 234885 | 2019-11-23 | cif/ Adding structures of 4349561, 4349562, 4349563 via cif-deposit CGI script. |
4349561.cif |
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Users of the data should acknowledge the original authors of the
structural data.