Information card for entry 4064205

Structure parameters

• 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 ų
• 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