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Information card for entry 4349888
Preview
| Coordinates | 4349888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H22 F9 N4 O6 S3 Sm |
|---|---|
| Calculated formula | C38 H22 F9 N4 O6 S3 Sm |
| Title of publication | Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties |
| Authors of publication | Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | 3015 |
| a | 14.8835 ± 0.0003 Å |
| b | 18.8542 ± 0.0004 Å |
| c | 15.3188 ± 0.0003 Å |
| α | 90° |
| β | 94.9294 ± 0.0017° |
| γ | 90° |
| Cell volume | 4282.81 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349888.cif |
| 236925 | 2019-11-24 | cif/ Adding structures of 4349888, 4349889, 4349890, 4349891, 4349892, 4349893, 4349894, 4349895, 4349896, 4349897 via cif-deposit CGI script. |
4349888.cif |
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Users of the data should acknowledge the original authors of the
structural data.