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Information card for entry 7029502
Preview
| Coordinates | 7029502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H84 N12 O32 S4 Yb4 |
|---|---|
| Calculated formula | C70 H72 N12 O32 S4 Yb4 |
| SMILES | c1(cccnc1S)C1N[N]2=Cc3ccccc3O[Yb]342([O]=1)([OH2])(OC(=O)C)[O]1C(C)=[O][Yb]251([N](=Cc1ccccc1O2)NC(c1cccnc1S)=[O]5)([OH2])(OC(=O)C)[O]4C(=[O]3)C.O1c2ccccc2C=[N]2[Yb]3451([O]=C(C)O3)([O]=C(C)[O]4[Yb]1346([N](NC(=[O]1)c1cccnc1S)=Cc1ccccc1O3)([O]=C(C)[O]56)([O]=C(C)O4)[OH]C)([OH]C)[O]=C(N2)c1cccnc1S.O.O.O.O |
| Title of publication | Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species. |
| Authors of publication | Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 16 |
| Pages of publication | 6262 - 6268 |
| a | 10.885 ± 0.004 Å |
| b | 12.424 ± 0.004 Å |
| c | 17.847 ± 0.007 Å |
| α | 70.887 ± 0.006° |
| β | 73.303 ± 0.006° |
| γ | 89.712 ± 0.006° |
| Cell volume | 2173.7 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180001 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/95. |
7029502.cif |
| 108328 | 2014-03-30 | cif/ Adding structures of 7029498, 7029499, 7029500, 7029501, 7029502 via cif-deposit CGI script. |
7029502.cif |
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Users of the data should acknowledge the original authors of the
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