Information card for entry 7121068

Structure parameters

• Formula: C32 H32 Cl4 F6 O2 Rh2
• Calculated formula: C32 H32 Cl4 F6 O2 Rh2
• SMILES: [Rh]12345([OH][Rh]6789([OH]1)(c1c(F)c(Cl)c(F)c(Cl)c1F)[c]1([c]6([c]7([c]9([c]81C)C)C)C)C)(c1c(F)c(Cl)c(F)c(c1F)Cl)[c]1(C)[c]4([c]2([c]3([c]51C)C)C)C
• 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: 11.1207 ± 0.0009 Å
• b: 11.2919 ± 0.0008 Å
• c: 16.0905 ± 0.001 Å
• α: 89.827 ± 0.006°
• β: 70.323 ± 0.007°
• γ: 65.775 ± 0.008°
• Cell volume: 1713.4 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No