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Information card for entry 4518734
Preview
| Coordinates | 4518734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 Cl2 Cu N2 O4 |
|---|---|
| Calculated formula | C26 H18 Cl2 Cu N2 O4 |
| Title of publication | Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4 |
| Authors of publication | Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 21 |
| Pages of publication | 13704 - 13718 |
| a | 12.028 ± 0.0009 Å |
| b | 14.7995 ± 0.0012 Å |
| c | 13.5238 ± 0.001 Å |
| α | 90° |
| β | 110.518 ± 0.004° |
| γ | 90° |
| Cell volume | 2254.6 ± 0.3 Å3 |
| Cell temperature | 100.33 K |
| Ambient diffraction temperature | 100.33 K |
| Number of distinct elements | 6 |
| 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 | 0.112 |
| Residual factor for significantly intense reflections | 0.1023 |
| Weighted residual factors for significantly intense reflections | 0.3183 |
| Weighted residual factors for all reflections included in the refinement | 0.3223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| 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 |
|---|---|---|---|
| 265751 (current) | 2021-06-04 | cif/ Updating files of 4518733, 4518734 Original log message: Adding full bibliography for 4518733--4518734.cif. |
4518734.cif |
| 265332 | 2021-05-20 | cif/ Adding structures of 4518733, 4518734 via cif-deposit CGI script. |
4518734.cif |
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Users of the data should acknowledge the original authors of the
structural data.