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Information card for entry 7118058
Preview
| Coordinates | 7118058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 Br2 N2 O4 Zn |
|---|---|
| Calculated formula | C20 H18 Br2 N2 O4 Zn |
| SMILES | c12ccc[n]3c1c(ccc2Br)O[Zn]13([OH]C)([n]2cccc3c(ccc(c23)O1)Br)[OH]C |
| Title of publication | Cytotoxicity, DNA binding and cell apoptosis induction of a zinc(ii) complex of HBrQ |
| Authors of publication | Zhang, Hai-Rong; Liu, Yan-Cheng; Meng, Ting; Qin, Qi-Pin; Tang, Shang-Feng; Chen, Zhen-Feng; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong |
| Journal of publication | Med. Chem. Commun. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 2224 |
| a | 5.06412 ± 0.00019 Å |
| b | 18.1609 ± 0.0012 Å |
| c | 11.4569 ± 0.0004 Å |
| α | 90° |
| β | 97.646 ± 0.004° |
| γ | 90° |
| Cell volume | 1044.31 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0887 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118058.cif |
| 171290 | 2015-12-09 | cif/ Updating files of 7118058 Original log message: Adding full bibliography for 7118058.cif. |
7118058.cif |
| 170304 | 2015-11-14 | cif/ Adding structures of 7118058 via cif-deposit CGI script. |
7118058.cif |
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Users of the data should acknowledge the original authors of the
structural data.