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Information card for entry 1519927
Preview
| Coordinates | 1519927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H62 Co N2 O4 |
|---|---|
| Calculated formula | C54 H62 Co N2 O4 |
| SMILES | [Co]12(Oc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)(Oc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)([n]1ccc(cc1)/C=C/c1ccccc1)[n]1ccc(cc1)/C=C/c1ccccc1 |
| Title of publication | Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism |
| Authors of publication | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4599 |
| a | 10.7956 ± 0.0011 Å |
| b | 12.0991 ± 0.0013 Å |
| c | 19.834 ± 0.002 Å |
| α | 102.162 ± 0.006° |
| β | 101.446 ± 0.005° |
| γ | 104.036 ± 0.005° |
| Cell volume | 2370.3 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519927.cif |
| 153080 | 2015-08-08 | cif/ Updating files of 1519926, 1519927, 1519928, 1519929 Original log message: Adding full bibliography for 1519926--1519929.cif. |
1519927.cif |
| 137270 | 2015-05-23 | cif/ Adding structures of 1519926, 1519927, 1519928, 1519929 via cif-deposit CGI script. |
1519927.cif |
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Users of the data should acknowledge the original authors of the
structural data.