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Information card for entry 1561876
Preview
| Coordinates | 1561876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 Cl Cu N4 S2 |
|---|---|
| Calculated formula | C13 H11 Cl Cu N4 S2 |
| SMILES | [Cu]12([n]3c(C(=[N]2N=C(S1)SC)c1ncccc1)cccc3)Cl |
| 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 | 8.6462 ± 0.0014 Å |
| b | 9.7989 ± 0.0015 Å |
| c | 10.1011 ± 0.0018 Å |
| α | 68.887 ± 0.005° |
| β | 71.065 ± 0.005° |
| γ | 82.137 ± 0.006° |
| Cell volume | 755 ± 0.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.252 |
| Weighted residual factors for all reflections included in the refinement | 0.2749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.70932 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264279 (current) | 2021-04-18 | cif/ Adding structures of 1561876 via cif-deposit CGI script. |
1561876.cif |
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