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Information card for entry 7705029
Preview
| Coordinates | 7705029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H62.5 Cl Dy2 F6 N12 O19.5 S2 |
|---|---|
| Calculated formula | C60 H66.5 Cl Dy2 F6 N12 O19.5 S2 |
| SMILES | [Dy]123456([O]([Dy]789%10%11([O]1c1c(C=[N]%10Nc%10[n]%11c(c%11[n]9c(N[N]8=Cc8c(O7)c(OC)ccc8)ccc%11)ccc%10)cccc1OC)[OH]C)c1c(C=[N]3Nc3[n]6c(c6[n]5c(N[N]4=Cc4cccc(OC)c4O2)ccc6)ccc3)cccc1OC)[OH]C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl.OC.OC.OC.OC |
| 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 | 15.7602 ± 0.0013 Å |
| b | 18.2693 ± 0.0015 Å |
| c | 24.804 ± 0.002 Å |
| α | 95.967 ± 0.001° |
| β | 100.081 ± 0.002° |
| γ | 90.964 ± 0.001° |
| Cell volume | 6988.9 ± 1 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294326 (current) | 2024-09-02 | cif/7: Fixing some Z values and formulae |
7705029.cif |
| 257565 | 2020-10-06 | cif/ Updating files of 7705026, 7705027, 7705028, 7705029 Original log message: Adding full bibliography for 7705026--7705029.cif. |
7705029.cif |
| 254828 | 2020-08-05 | cif/ Adding structures of 7705026, 7705027, 7705028, 7705029 via cif-deposit CGI script. |
7705029.cif |
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Users of the data should acknowledge the original authors of the
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