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Information card for entry 7054588
Preview
| Coordinates | 7054588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H41 Er N2 O6 |
|---|---|
| Calculated formula | C55 H41 Er N2 O6 |
| SMILES | [Er]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)[n]1ccccc1c1[n]4cccc1 |
| Title of publication | Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine |
| Authors of publication | Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 1703 |
| a | 15.2886 ± 0.0006 Å |
| b | 17.7424 ± 0.0007 Å |
| c | 20.7735 ± 0.0007 Å |
| α | 73.91 ± 0.002° |
| β | 70.046 ± 0.002° |
| γ | 68.647 ± 0.002° |
| Cell volume | 4857.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1672 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180099 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45. |
7054588.cif |
| 133460 | 2015-03-06 | cif/ Updating files of 7054587, 7054588 Original log message: Adding full bibliography for 7054587--7054588.cif. |
7054588.cif |
| 128518 | 2014-12-11 | cif/ Adding structures of 7054587, 7054588 via cif-deposit CGI script. |
7054588.cif |
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Users of the data should acknowledge the original authors of the
structural data.