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Information card for entry 7056665
Preview
| Coordinates | 7056665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H56 Eu Na O10 |
|---|---|
| Calculated formula | C64 H56 Eu Na O10 |
| SMILES | C1(=[O][Eu]2345(OC(=C1)c1ccccc1)([O]1=C(C=C([O]2[Na]1([OH]CC)[O]4C(=CC(=[O]5)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)OC(=CC(=[O]3)c1ccccc1)c1ccccc1)c1ccccc1.C(C)O |
| Title of publication | An efficient route for design of luminescent composite materials based on polyethylene containing europium dibenzoylmethanate |
| Authors of publication | Roitershtein, Dmitrii M.; Puntus, Lada N.; Lyssenko, Konstantin A.; Taidakov, Ilya V.; Varaksina, Evgenia; Minyaev, Mikhail M.; Gerasin, Viktor Anatol'evich; Guseva, Maria A.; Vinogradov, Alexey V.; Savchenko, Maria S.; Nifant'ev, Ilya E. |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 22 |
| Pages of publication | 13663 - 13672 |
| a | 25.835 ± 0.002 Å |
| b | 8.3357 ± 0.0008 Å |
| c | 25.37 ± 0.002 Å |
| α | 90° |
| β | 90.106 ± 0.0019° |
| γ | 90° |
| Cell volume | 5463.5 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056665.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7056665.cif |
| 201685 | 2017-10-05 | cif/ Adding structures of 7056664, 7056665 via cif-deposit CGI script. |
7056665.cif |
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