Information card for entry 4080037

Structure parameters

• Chemical name: [(hapto^6^-p-Cymene)(5,11-dihydroindolo[3,2-c]quinolin-6-one-2-yl)- (1-kappaN-pyridin-2-yl-methylidene)-kappaN-amine-chloridoruthenium(II)]chloride
• Formula: C33 H36 Cl2 N4 O3 Ru
• Calculated formula: C33 H36 Cl2 N4 O3 Ru
• SMILES: [Ru]123456(Cl)([N](c7cc8c(cc7)NC(=O)c7c9ccccc9[nH]c87)=Cc7[n]1cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.Cl.O.OCC
• Title of publication: Metal‒Arene Complexes with Indolo[3,2-c]-quinolines: Effects of Ruthenium vs Osmium and Modifications of the Lactam Unit on Intermolecular Interactions, Anticancer Activity, Cell Cycle, and Cellular Accumulation
• Authors of publication: Filak, Lukas K.; Göschl, Simone; Heffeter, Petra; Ghannadzadeh Samper, Katia; Egger, Alexander E.; Jakupec, Michael A.; Keppler, Bernhard K.; Berger, Walter; Arion, Vladimir B.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 903
• a: 17.7577 ± 0.0011 Å
• b: 9.4186 ± 0.0005 Å
• c: 18.9531 ± 0.0012 Å
• α: 90°
• β: 90.097 ± 0.002°
• γ: 90°
• Cell volume: 3170 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No