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Information card for entry 7705027
Preview
| Coordinates | 7705027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H70 Cl2 Dy2 N12 O24 |
|---|---|
| Calculated formula | C57 H70 Cl2 Dy2 N12 O24 |
| SMILES | [Dy]123456([O]7[Dy]89%10%11([OH2])(Oc%12c(OC)cccc%12C=[N]8Nc8cccc(c%12[n]%10c(N[N]9=Cc9cccc(OC)c97)ccc%12)[n]%118)[O]2c2c(OC)cccc2C=[N]5Nc2[n]3c(ccc2)c2cccc(N[N]4=Cc3c(O1)c(OC)ccc3)[n]62)[OH]C.Cl(=O)(=O)(=O)[O-].OC.OC.O.OC.OC.O.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Counter anions influence the relaxation dynamics of phenoxy-bridged Dy<sub>2</sub> single molecule magnets. |
| Authors of publication | Liu, Shuting; Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Tang, Jinkui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 35 |
| Pages of publication | 12372 - 12379 |
| a | 14.0961 ± 0.0009 Å |
| b | 18.9669 ± 0.0012 Å |
| c | 26.3438 ± 0.0018 Å |
| α | 90° |
| β | 104.921 ± 0.001° |
| γ | 90° |
| Cell volume | 6805.8 ± 0.8 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1517 |
| Weighted residual factors for all reflections included in the refinement | 0.1595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705027.cif |
| 257565 | 2020-10-06 | cif/ Updating files of 7705026, 7705027, 7705028, 7705029 Original log message: Adding full bibliography for 7705026--7705029.cif. |
7705027.cif |
| 254828 | 2020-08-05 | cif/ Adding structures of 7705026, 7705027, 7705028, 7705029 via cif-deposit CGI script. |
7705027.cif |
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Users of the data should acknowledge the original authors of the
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