Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566062
Preview
| Coordinates | 1566062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N6 O6 Zn |
|---|---|
| Calculated formula | C18 H16 N6 O6 Zn |
| Title of publication | Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies |
| Authors of publication | Ji, Xiaoxi; Zhu, Xiaopeng; Chen, Shiyu; Song, Dongxue; Wu, Shuangyan; Zhang, Ying; Gao, Enjun; Xu, Jin; Zhu, Mingchang |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2022 |
| Journal volume | 305 |
| Pages of publication | 122707 |
| a | 11.9796 ± 0.0012 Å |
| b | 10.0261 ± 0.001 Å |
| c | 16.1223 ± 0.0018 Å |
| α | 90° |
| β | 95.807 ± 0.003° |
| γ | 90° |
| Cell volume | 1926.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.02 K |
| Number of distinct elements | 5 |
| 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272155 (current) | 2022-01-20 | cif/ Adding structures of 1566061, 1566062 via cif-deposit CGI script. |
1566062.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.