Information card for entry 7121066

Structure parameters

• Formula: C22 H15 Cl4 F6 Rh
• Calculated formula: C22 H15 Cl4 F6 Rh
• SMILES: [Rh]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(c1c(F)c(Cl)c(F)c(Cl)c1F)c1c(F)c(Cl)c(F)c(Cl)c1F
• Title of publication: Hidden aryl-exchange processes in stable 16e Rh^III [RhCp*Ar₂] complexes, and their unexpected transmetalation mechanism.
• Authors of publication: Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 984 - 987
• a: 8.6634 ± 0.0002 Å
• b: 13.9649 ± 0.0004 Å
• c: 19.5079 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2360.13 ± 0.11 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No