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Information card for entry 4349563
Preview
| Coordinates | 4349563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H60 Dy2 N6 O20 Zn2 |
|---|---|
| Calculated formula | C62 H60 Dy2 N6 O20 Zn2 |
| SMILES | c12ccccc1[N]1[Dy]3456([O]72[Zn]289([O]3c3c(C=[N]2c2c([O]8[Dy]8%10%11%12%13([N](c%14c(cccc%14)[O]98[Zn]897([N](c7c([O]68)cccc7)=Cc6cccc([O]%11CC)c6[O]9%13)[OH]C)=Cc6cccc(OCC)c6O%10)ON(=[O]%12)=O)cccc2)cccc3[O]4CC)[OH]C)(Oc2c(C=1)cccc2OCC)ON(=[O]5)=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 | 11.4697 ± 0.0013 Å |
| b | 11.6701 ± 0.0014 Å |
| c | 13.4425 ± 0.0016 Å |
| α | 86.002 ± 0.002° |
| β | 66.152 ± 0.002° |
| γ | 68.286 ± 0.002° |
| Cell volume | 1522.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
4349563.cif |
| 234885 | 2019-11-23 | cif/ Adding structures of 4349561, 4349562, 4349563 via cif-deposit CGI script. |
4349563.cif |
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Users of the data should acknowledge the original authors of the
structural data.