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Information card for entry 7055673
Preview
| Coordinates | 7055673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 Cl N3 O1.5 |
|---|---|
| Calculated formula | C19 H19 Cl N3 O1.5 |
| SMILES | n1ccccc1CN(c1ccc(cc1)C)Cc1[nH+]cccc1.[Cl-].O.O |
| Title of publication | Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies |
| Authors of publication | Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 9 |
| Pages of publication | 7513 |
| a | 11.813 ± 0.002 Å |
| b | 12.191 ± 0.002 Å |
| c | 13.301 ± 0.003 Å |
| α | 89.36 ± 0.03° |
| β | 87.62 ± 0.03° |
| γ | 78.82 ± 0.03° |
| Cell volume | 1877.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1165 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1949 |
| Weighted residual factors for all reflections included in the refinement | 0.2168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194155 (current) | 2017-03-10 | cif/7 Fixing some Z values and formulae. |
7055673.cif |
| 186456 | 2016-09-10 | cif/ Updating files of 7055671, 7055672, 7055673 Original log message: Adding full bibliography for 7055671--7055673.cif. |
7055673.cif |
| 184092 | 2016-07-01 | cif/ Adding structures of 7055671, 7055672, 7055673 via cif-deposit CGI script. |
7055673.cif |
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Users of the data should acknowledge the original authors of the
structural data.