Information card for entry 7707427

Structure parameters

• Chemical name: Chloro-(-(η6- 1-Methyl-4-(propan-2-yl)benzene)-( 2,9-dimethyl-1,10-phenanthroline )- rutenium(II) trifluoromethanesulfonate
• Formula: C25 H26 Cl F3 N2 O3 Ru S
• Calculated formula: C25 H26 Cl F3 N2 O3 Ru S
• SMILES: [Ru]123456(Cl)([n]7c8c9[n]1c(C)ccc9ccc8ccc7C)[cH]1[c]3([cH]2[cH]6[c]4(C)[cH]51)C(C)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: 8.0253 ± 0.0003 Å
• b: 10.9947 ± 0.0004 Å
• c: 29.1638 ± 0.0011 Å
• α: 90°
• β: 94.356 ± 0.007°
• γ: 90°
• Cell volume: 2565.86 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No