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Information card for entry 7112796
Preview
| Coordinates | 7112796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H32 Cl3 Dy F18 N4 O10 |
|---|---|
| Calculated formula | C36 H32 Cl3 Dy F18 N4 O10 |
| SMILES | C1(C)(C)C(C)(C)N(=C2c3cccc(c3)C3[N](C(C(C)(C)N=3=O)(C)C)=[O][Dy]345([O]=[N]12)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O5)=O.C(Cl)(Cl)Cl |
| Title of publication | Single molecule magnet behaviour in robust dysprosium-biradical complexes. |
| Authors of publication | Bernot, Kevin; Pointillart, Fabrice; Rosa, Patrick; Etienne, Mael; Sessoli, Roberta; Gatteschi, Dante |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 35 |
| Pages of publication | 6458 - 6460 |
| a | 12.187 ± 0.0004 Å |
| b | 13.163 ± 0.0004 Å |
| c | 31.581 ± 0.0011 Å |
| α | 90.001 ± 0.0014° |
| β | 79.831 ± 0.0015° |
| γ | 76.741 ± 0.0014° |
| Cell volume | 4849.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1458 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112796.cif |
| 180241 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112796.cif |
| 112093 | 2014-04-29 | cif/ Adding structures of 7112796 via cif-deposit CGI script. |
7112796.cif |
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Users of the data should acknowledge the original authors of the
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