Information card for entry 4088126

Structure parameters

• Chemical name: Bromido(5-chloro-7-iodo-8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)
• Formula: C19 H18 Br Cl I N O Ru
• Calculated formula: C19 H18 Br Cl I N O Ru
• SMILES: c1ccc2c(cc(c3c2[n]1[Ru]12456([c]7([cH]1[cH]2[c]4([cH]5[cH]67)C(C)C)C)(O3)Br)I)Cl
• 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: 15.2388 ± 0.0006 Å
• b: 7.9292 ± 0.0003 Å
• c: 15.9301 ± 0.0006 Å
• α: 90°
• β: 99.105 ± 0.002°
• γ: 90°
• Cell volume: 1900.6 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No