Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058091
Preview
| Coordinates | 7058091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H26 Cl3 Cu F N8 O3 |
|---|---|
| Calculated formula | C39 H26 Cl3 Cu F N8 O3 |
| Title of publication | Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity |
| Authors of publication | Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 6 |
| Pages of publication | 2529 |
| a | 9.6433 ± 0.0006 Å |
| b | 13.9637 ± 0.001 Å |
| c | 14.9574 ± 0.001 Å |
| α | 66.063 ± 0.007° |
| β | 82.774 ± 0.005° |
| γ | 86.174 ± 0.006° |
| Cell volume | 1826 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.1724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058091.cif |
| 224828 | 2019-11-08 | cif/ Updating files of 7058088, 7058089, 7058090, 7058091 Original log message: Adding full bibliography for 7058088--7058091.cif. |
7058091.cif |
| 212982 | 2019-01-11 | cif/ Adding structures of 7058088, 7058089, 7058090, 7058091 via cif-deposit CGI script. |
7058091.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.