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Information card for entry 7053171
Preview
| Coordinates | 7053171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H42 Cl3 F9 Ru2 S3 |
|---|---|
| Calculated formula | C42 H42 Cl3 F9 Ru2 S3 |
| SMILES | [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]1723456[S](c2ccccc2C(F)(F)F)[Ru]23456([c]8([cH]6[cH]5[c]4([cH]3[cH]28)C)C(C)C)([S]1c1ccccc1C(F)(F)F)[S]7c1ccccc1C(F)(F)F)C)C(C)C.C(Cl)Cl.[Cl-] |
| Title of publication | Highly cytotoxic diruthenium trithiolato complexes of the type [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+: synthesis, characterization, molecular structure and in vitro anticancer activity |
| Authors of publication | Giannini, Federico; Paul, Lydia E. H.; Furrer, Julien; Therrien, Bruno; Süss-Fink, Georg |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 11 |
| Pages of publication | 3503 |
| a | 13.2365 ± 0.0013 Å |
| b | 19.4764 ± 0.0019 Å |
| c | 17.2337 ± 0.0015 Å |
| α | 90° |
| β | 94.607 ± 0.011° |
| γ | 90° |
| Cell volume | 4428.5 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053171.cif |
| 180085 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/31. |
7053171.cif |
| 90677 | 2013-11-18 | cif/ Adding structures of 7053171, 7053172 via cif-deposit CGI script. |
7053171.cif |
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