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Information card for entry 1561878
Preview
| Coordinates | 1561878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 Br3 Cu3 N8 S4 |
|---|---|
| Calculated formula | C26 H22 Br3 Cu3 N8 S4 |
| SMILES | Br[Cu]12SC(=N[N]2=C(c2[n]1cccc2)c1[n]([Cu](Br)[n]2ccccc2C2=[N]3[Cu](Br)(SC(=N3)SC)[n]3c2cccc3)cccc1)SC |
| Title of publication | Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. |
| Authors of publication | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2021 |
| a | 10.7395 ± 0.0011 Å |
| b | 16.0006 ± 0.0014 Å |
| c | 18.9882 ± 0.0016 Å |
| α | 90° |
| β | 96.286 ± 0.007° |
| γ | 90° |
| Cell volume | 3243.3 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.70932 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264281 (current) | 2021-04-18 | cif/ Adding structures of 1561878 via cif-deposit CGI script. |
1561878.cif |
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