Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1519926
Preview
| Coordinates | 1519926.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 | 10.6748 ± 0.0004 Å |
| b | 11.9906 ± 0.0005 Å |
| c | 19.6875 ± 0.0008 Å |
| α | 101.316 ± 0.002° |
| β | 101.953 ± 0.0017° |
| γ | 103.763 ± 0.0017° |
| Cell volume | 2313.24 ± 0.16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0434 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1519926.cif |
| 153080 | 2015-08-08 | cif/ Updating files of 1519926, 1519927, 1519928, 1519929 Original log message: Adding full bibliography for 1519926--1519929.cif. |
1519926.cif |
| 137270 | 2015-05-23 | cif/ Adding structures of 1519926, 1519927, 1519928, 1519929 via cif-deposit CGI script. |
1519926.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.