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Information card for entry 4064205
Preview
| Coordinates | 4064205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Chlorido(η^6^-p-cymene)(nalidixicato-κ^2^O,O)ruthenium(II)] toluene solvate |
|---|---|
| Chemical name | [Chlorido(η^6^-p-ispropyltoluene)(1-ethyl-7-methyl-4-oxo-[1,8]naphthyridine-3-carboxylato-κ^2^O,O)ruthenium(II)] toluene solvate |
| Formula | C29 H33 Cl N2 O3 Ru |
| Calculated formula | C29 H33 Cl N2 O3 Ru |
| SMILES | [Ru]123456(Cl)([O]=c7c(cn(c8nc(ccc78)C)CC)C(=O)O1)[c]1([cH]3[cH]2[c]6([cH]4[cH]51)C(C)C)C.c1ccccc1C |
| Title of publication | Physicochemical Studies and Anticancer Potency of Ruthenium η-p-Cymene Complexes Containing Antibacterial Quinolones. |
| Authors of publication | Kljun, Jakob; Bytzek, Anna K.; Kandioller, Wolfgang; Bartel, Caroline; Jakupec, Michael A.; Hartinger, Christian G.; Keppler, Bernhard K.; Turel, Iztok |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 9 |
| Pages of publication | 2506 - 2512 |
| a | 12.6517 ± 0.0003 Å |
| b | 9.5094 ± 0.0002 Å |
| c | 23.2404 ± 0.0004 Å |
| α | 90° |
| β | 97.549 ± 0.001° |
| γ | 90° |
| Cell volume | 2771.82 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42. |
4064205.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4064205.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064205.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064205.cif |
| 32815 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064205, 4064206 via cif-deposit CGI script. |
4064205.cif |
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