Information card for entry 4080039

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-chloridoosmium(II)]chloride
• Formula: C33 H36 Cl2 N4 O3 Os
• Calculated formula: C33 H36 Cl2 N4 O3 Os
• SMILES: [Os]123456(Cl)([N](c7ccc8NC(=O)c9c([nH]c%10ccccc9%10)c8c7)=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: 17.7341 ± 0.0018 Å
• b: 9.5157 ± 0.0009 Å
• c: 19.07 ± 0.002 Å
• α: 90°
• β: 90.096 ± 0.007°
• γ: 90°
• Cell volume: 3218.1 ± 0.6 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: 0.0701
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No