Information card for entry 4338828

Structure parameters

• Chemical name: (hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-ium)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-4-kappaN-amine]chloridoruthenium(II) dichloride isopropanal water solvate
• Formula: C40.5 H52 Cl3 N6 O2 Ru
• Calculated formula: C40.5 H51 Cl3 N6 O2 Ru
• 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: 15.2896 ± 0.0005 Å
• b: 19.5424 ± 0.0006 Å
• c: 15.3917 ± 0.0005 Å
• α: 90°
• β: 113.677 ± 0.002°
• γ: 90°
• Cell volume: 4211.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No