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Information card for entry 4064206
Preview
| Coordinates | 4064206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Chlorido(η^2^-p-cymene)(cinoxacinato-κ^2^O,O)ruthenium(II)] hydrate |
|---|---|
| Chemical name | [Chlorido(η^6^-p-ispropyltoluene)(1-ethyl-4-oxo-1,4-dihydro- [1,3]dioxolo[4,5-g]cinnoline-3-carboxylato-κ^2^O,O)ruthenium(II)] hydrate |
| Formula | C22 H25 Cl N2 O6 Ru |
| Calculated formula | C22 H25 Cl N2 O6 Ru |
| SMILES | [Ru]123456(Cl)(OC(=O)c7nn(c8c(cc9OCOc9c8)c7=[O]1)CC)[cH]1[cH]3[c]2([cH]5[cH]6[c]41C)C(C)C.O |
| 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 | 9.1782 ± 0.0002 Å |
| b | 9.2246 ± 0.0002 Å |
| c | 16.1067 ± 0.0004 Å |
| α | 73.878 ± 0.001° |
| β | 79.547 ± 0.001° |
| γ | 76.659 ± 0.001° |
| Cell volume | 1264.61 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| 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. |
4064206.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. |
4064206.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064206.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064206.cif |
| 32815 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064205, 4064206 via cif-deposit CGI script. |
4064206.cif |
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