Information card for entry 7707424

Structure parameters

• Chemical name: Chloro- (η^5^-pentamethylcyclopentadienyl)(4,4'-dimethyl-2,2'-bipyridine )- rhodium(III)- trifluoromethanesulfonate'
• Formula: C23 H27 Cl F3 N2 O3 Rh S
• Calculated formula: C23 H27 Cl F3 N2 O3 Rh S
• SMILES: [Rh]12345(Cl)([n]6ccc(cc6c6[n]1ccc(c6)C)C)[c]1([c]2([c]3([c]4([c]51C)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: 16.1575 ± 0.0003 Å
• b: 22.6823 ± 0.0004 Å
• c: 13.9296 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5105.05 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No