Information card for entry 4088125

Structure parameters

• Chemical name: Chlorido(5,7-dibromo-8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)
• Formula: C19 H18 Br2 Cl N O Ru
• Calculated formula: C19 H18 Br2 Cl N O Ru
• SMILES: c1ccc2c(cc(c3c2[n]1[Ru]12456([c]7([cH]6[cH]5[c]4([cH]2[cH]17)C(C)C)C)(O3)Cl)Br)Br
• Title of publication: Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents
• Authors of publication: Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 5658
• a: 20.0217 ± 0.0008 Å
• b: 7.7798 ± 0.0002 Å
• c: 24.5606 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3825.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No