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Information card for entry 7029498
Preview
| Coordinates | 7029498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H48 N6 O16 S2 Sm2 |
|---|---|
| Calculated formula | C38 H48 N6 O16 S2 Sm2 |
| SMILES | c1(cccnc1S)C1N[N]2=Cc3ccccc3O[Sm]3452([O]=1)([O]=C(O3)C)([O]=C([O]4[Sm]1234([N](=Cc6ccccc6O2)NC(c2cccnc2S)=[O]1)([O]=C(O3)C)([O]=C([O]54)C)[OH]C)C)[OH]C.OC.OC |
| 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 | 10.447 ± 0.003 Å |
| b | 10.886 ± 0.003 Å |
| c | 11.875 ± 0.003 Å |
| α | 69.437 ± 0.005° |
| β | 84.878 ± 0.005° |
| γ | 79.669 ± 0.005° |
| Cell volume | 1243.4 ± 0.6 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 | 0.0713 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029498.cif |
| 180000 | 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 7/02/94. |
7029498.cif |
| 108328 | 2014-03-30 | cif/ Adding structures of 7029498, 7029499, 7029500, 7029501, 7029502 via cif-deposit CGI script. |
7029498.cif |
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Users of the data should acknowledge the original authors of the
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