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Information card for entry 1568582
Preview
| Coordinates | 1568582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H50 Cu F3 N2 O3 P2 S |
|---|---|
| Calculated formula | C63 H50 Cu F3 N2 O3 P2 S |
| Title of publication | Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency |
| Authors of publication | Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor |
| Journal of publication | Catalysts |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 386 |
| a | 15.2564 ± 0.001 Å |
| b | 16.0253 ± 0.0011 Å |
| c | 23.0757 ± 0.0015 Å |
| α | 90.355 ± 0.003° |
| β | 93.137 ± 0.003° |
| γ | 98.235 ± 0.003° |
| Cell volume | 5574.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2088 |
| Weighted residual factors for all reflections included in the refinement | 0.2374 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281625 (current) | 2023-03-05 | cif/ Adding structures of 1568580, 1568581, 1568582, 1568583, 1568584, 1568585 via cif-deposit CGI script. |
1568582.cif |
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Users of the data should acknowledge the original authors of the
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