Information card for entry 7707425

Structure parameters

• Chemical name: Chloro-(η6-toluene)-(4,4'-dimethyl-2,2'-bipyridine )- rutenium(II) trifluoromethanesulfonate '
• Formula: C20 H20 Cl F3 N2 O3 Ru S
• Calculated formula: C20 H20 Cl F3 N2 O3 Ru S
• SMILES: [Ru]123456(Cl)([n]7ccc(cc7c7[n]1ccc(c7)C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.
• Authors of publication: Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8218 - 8231
• a: 8.0457 ± 0.0009 Å
• b: 12.5861 ± 0.0014 Å
• c: 21.869 ± 0.002 Å
• α: 90°
• β: 90.33 ± 0.006°
• γ: 90°
• Cell volume: 2214.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No