Information card for entry 4338826

Structure parameters

• Chemical name: (hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-ium)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-2-kappaN-amine]chloridoruthenium(II) dichloride ethanol water solvate
• Formula: C38 H49 Cl3 N6 O3 Ru
• Calculated formula: C38 H49 Cl3 N6 O3 Ru
• SMILES: [Ru]123456(Cl)([N](c7cc8c(cc7)nc(c7c9ccccc9[nH]c87)N7CC[NH+](CC7)C)=Cc7cccc[n]17)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[Cl-].[Cl-].O.O.OCC
• Title of publication: Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids.
• Authors of publication: Filak, Lukas K.; Kalinowski, Danuta S.; Bauer, Theresa J.; Richardson, Des R.; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6934 - 6943
• a: 19.2712 ± 0.0014 Å
• b: 7.8687 ± 0.0005 Å
• c: 25.5459 ± 0.0019 Å
• α: 90°
• β: 91.724 ± 0.004°
• γ: 90°
• Cell volume: 3872 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No