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Information card for entry 7712561
Preview
| Coordinates | 7712561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl Cu F N4 O3 S |
|---|---|
| Calculated formula | C16 H16 Cl Cu F N4 O3 S |
| SMILES | [Cu]1(Cl)([O]=S(C)C)(N2C(=O)NC(=O)C(F)=C2)[n]2ccccc2c2[n]1cccc2 |
| Title of publication | Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity |
| Authors of publication | Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.1412 ± 0.0004 Å |
| b | 21.3384 ± 0.0013 Å |
| c | 11.1897 ± 0.0006 Å |
| α | 90° |
| β | 93.746 ± 0.004° |
| γ | 90° |
| Cell volume | 1939.72 ± 0.18 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.113 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281784 (current) | 2023-03-10 | cif/ Adding structures of 7712559, 7712560, 7712561, 7712562, 7712563 via cif-deposit CGI script. |
7712561.cif |
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Users of the data should acknowledge the original authors of the
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