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Information card for entry 1549489
Preview
| Coordinates | 1549489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H8 F6 O4 Pd |
|---|---|
| Calculated formula | C10 H8 F6 O4 Pd |
| SMILES | [Pd]12(OC(=CC(=[O]1)C)C(F)(F)F)OC(=CC(=[O]2)C)C(F)(F)F |
| Title of publication | Ten-fold boost of catalytic performance in thiol–yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand |
| Authors of publication | Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 3073 |
| a | 4.7881 ± 0.0008 Å |
| b | 7.9629 ± 0.0013 Å |
| c | 8.7923 ± 0.0015 Å |
| α | 80.994 ± 0.003° |
| β | 77.33 ± 0.003° |
| γ | 72.621 ± 0.003° |
| Cell volume | 310.64 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1549489.cif |
| 227977 | 2019-11-17 | cif/ Updating files of 1549488, 1549489 Original log message: Adding full bibliography for 1549488--1549489.cif. |
1549489.cif |
| 208027 | 2018-05-30 | cif/ Adding structures of 1549488, 1549489 via cif-deposit CGI script. |
1549489.cif |
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Users of the data should acknowledge the original authors of the
structural data.