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Information card for entry 7706260
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| Coordinates | 7706260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(Thioatocarbonyldiamine-κS)(1-benzyl-2-methyl-3-oxo-κO-pyridine-4(1H)- thionato-κS)](η6-p-cymene)ruthenium(II)] chloride |
|---|---|
| Formula | C24 H30 Cl N3 O Ru S2 |
| Calculated formula | C24 H30 Cl N3 O Ru S2 |
| SMILES | [Ru]123456([S]=C(N)N)([S]=C7C=CN(C(=C7O2)C)Cc2ccccc2)[cH]2[c]4([cH]6[cH]3[c]1([cH]52)C(C)C)C.[Cl-] |
| Title of publication | Introducing <i>N</i>-, <i>P</i>-, and <i>S</i>-donor leaving groups: an investigation of the chemical and biological properties of ruthenium, rhodium and iridium thiopyridone piano stool complexes. |
| Authors of publication | Harringer, Sophia; Wernitznig, Debora; Gajic, Natalie; Diridl, Andreas; Wenisch, Dominik; Hejl, Michaela; Jakupec, Michael A.; Theiner, Sarah; Koellensperger, Gunda; Kandioller, Wolfgang; Keppler, Bernhard K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 44 |
| Pages of publication | 15693 - 15711 |
| a | 10.107 ± 0.002 Å |
| b | 11.107 ± 0.002 Å |
| c | 12.096 ± 0.002 Å |
| α | 90° |
| β | 108.775 ± 0.008° |
| γ | 90° |
| Cell volume | 1285.6 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260512 (current) | 2021-01-05 | cif/ Adding structures of 7706259, 7706260, 7706261, 7706262, 7706263, 7706264, 7706265, 7706266, 7706267, 7706268, 7706269, 7706270 via cif-deposit CGI script. |
7706260.cif |
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Users of the data should acknowledge the original authors of the
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