Information card for entry 4064206

Structure parameters

• 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 ų
• 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