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Information card for entry 1561877
Preview
| Coordinates | 1561877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 Cu2 N10 O6 S4 |
|---|---|
| Calculated formula | C26 H22 Cu2 N10 O6 S4 |
| SMILES | CSC1=N[N]2=C3c4cccc[n]4[Cu]45([N](=C(c6cccc[n]6[Cu]2([n]2c3cccc2)(ON(=O)=O)S1)c1[n]4cccc1)N=C(S5)SC)ON(=O)=O |
| 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 | 7.9731 ± 0.0009 Å |
| b | 9.8264 ± 0.0011 Å |
| c | 10.9176 ± 0.0014 Å |
| α | 76.501 ± 0.005° |
| β | 85.908 ± 0.006° |
| γ | 73.399 ± 0.005° |
| Cell volume | 797.05 ± 0.16 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 | 0.0385 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.70932 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264280 (current) | 2021-04-18 | cif/ Adding structures of 1561877 via cif-deposit CGI script. |
1561877.cif |
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Users of the data should acknowledge the original authors of the
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