Information card for entry 4088124

Structure parameters

• Chemical name: Bromido(8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)
• Formula: C19 H20 Br N O Ru
• Calculated formula: C19 H20 Br N O Ru
• SMILES: c1ccc2cccc3c2[n]1[Ru]12456([c]7([cH]1[cH]2[c]4([cH]5[cH]67)C(C)C)C)(O3)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: 10.6388 ± 0.0005 Å
• b: 13.3818 ± 0.0007 Å
• c: 12.2984 ± 0.0007 Å
• α: 90°
• β: 101.368 ± 0.004°
• γ: 90°
• Cell volume: 1716.53 ± 0.16 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No