Information card for entry 7707426

Structure parameters

• Chemical name: Chloro-(η5-pentamethylcyclopentadienyl)-( 2,9-dimethyl-1,10-phenanthroline)- rhodium(III) trifluoromethanesulfonate '
• Formula: C25 H27 Cl F3 N2 O3 Rh S
• Calculated formula: C25 H27 Cl F3 N2 O3 Rh S
• SMILES: [Rh]12345(Cl)([n]6c7c8[n]1c(C)ccc8ccc7ccc6C)[c]1([c]3([c]2([c]5([c]41C)C)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: 8.1852 ± 0.0008 Å
• b: 12.2115 ± 0.0011 Å
• c: 26.231 ± 0.003 Å
• α: 95.586 ± 0.007°
• β: 95.655 ± 0.007°
• γ: 102.341 ± 0.007°
• Cell volume: 2529.9 ± 0.5 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No