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Information card for entry 4072333
Preview
| Coordinates | 4072333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (quinolin-8-olate-kappaN^1^,kappaO^8^)(1H-imidazole-kappaN^3^) (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-ruthenium(II) trifluoromethanesulfonate |
|---|---|
| Formula | C23 H24 F3 N3 O4 Ru S |
| Calculated formula | C23 H24 F3 N3 O4 Ru S |
| SMILES | [Ru]123456(Oc7cccc8ccc[n]1c78)([n]1c[nH]cc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity |
| Authors of publication | Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6587 |
| a | 12.819 ± 0.003 Å |
| b | 12.076 ± 0.002 Å |
| c | 15.823 ± 0.003 Å |
| α | 90° |
| β | 105.74 ± 0.03° |
| γ | 90° |
| Cell volume | 2357.6 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0246 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072333.cif |
| 178612 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23. |
4072333.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072333.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072333.cif |
| 44355 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072331, 4072332, 4072333, 4072334, 4072335, 4072336 via cif-deposit CGI script. |
4072333.cif |
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Users of the data should acknowledge the original authors of the
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