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Information card for entry 7045826
Preview
| Coordinates | 7045826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(\?S-(Methylsulfanyl)methane)(1-benzyl-4-(2'-\?C)-phenyl-1,2,3-(3-\?N)-triazolato)(\?6-p-cymene)ruthenium(II)] nitrate |
|---|---|
| Formula | C27 H32 N4 O3 Ru S |
| Calculated formula | C27 H32 N4 O3 Ru S |
| Title of publication | N- and S-donor leaving groups in triazole-based ruthena(ii)cycles: potent anticancer activity, selective activation, and mode of action studies. |
| Authors of publication | Riedl, Christoph A.; Hejl, Michaela; Klose, Matthias H. M.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 13 |
| Pages of publication | 4625 - 4638 |
| a | 9.8204 ± 0.0005 Å |
| b | 11.5773 ± 0.0006 Å |
| c | 15.0588 ± 0.0009 Å |
| α | 98.178 ± 0.002° |
| β | 107.253 ± 0.002° |
| γ | 113.792 ± 0.002° |
| Cell volume | 1427.33 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229758 (current) | 2019-11-17 | cif/ Updating files of 7045825, 7045826, 7045827 Original log message: Adding full bibliography for 7045825--7045827.cif. |
7045826.cif |
| 206879 | 2018-03-10 | cif/ Adding structures of 7045825, 7045826, 7045827 via cif-deposit CGI script. |
7045826.cif |
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Users of the data should acknowledge the original authors of the
structural data.