Information card for entry 4063378

Structure parameters

• Chemical name: {(hapto^6^-p-cymene)[N-(2-chloro-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)kappaN'-(1-kappaN-pyridin-2-yl-methylidene)]azine chlorido- ruthenium(II)} chloride
• Formula: C31 H28 Cl3 N5 Ru
• Calculated formula: C31 H28 Cl3 N5 Ru
• SMILES: [Ru]123456(Cl)([N](N=C7Nc8c(c9[nH]c%10ccccc%10c79)cc(Cl)cc8)=Cc7[n]1cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-]
• Title of publication: Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity
• Authors of publication: Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 273 - 283
• a: 26.5354 ± 0.001 Å
• b: 26.5354 ± 0.001 Å
• c: 9.0872 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6398.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No