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Information card for entry 7227929
Preview
| Coordinates | 7227929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H16 Cu N6 O9 S |
|---|---|
| Calculated formula | C12 H16 Cu N6 O9 S |
| Title of publication | Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action |
| Authors of publication | Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 29 |
| Pages of publication | 17923 |
| a | 8.5965 ± 0.0008 Å |
| b | 10.0815 ± 0.0009 Å |
| c | 12.1404 ± 0.0014 Å |
| α | 110.051 ± 0.002° |
| β | 95.727 ± 0.001° |
| γ | 90.148 ± 0.001° |
| Cell volume | 982.69 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2048 |
| Residual factor for significantly intense reflections | 0.1694 |
| Weighted residual factors for significantly intense reflections | 0.4316 |
| Weighted residual factors for all reflections included in the refinement | 0.4537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.705 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227929.cif |
| 194497 | 2017-03-25 | cif/ Adding structures of 7227928, 7227929 via cif-deposit CGI script. |
7227929.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.