Information card for entry 7061740

Structure parameters

• Formula: C21 H19 Cl F3 N2 Rh
• Calculated formula: C21 H19 Cl F3 N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=C5N4C=CC=C5)c4c(F)cc(F)cc4F)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes
• Authors of publication: Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 16789 - 16800
• a: 11.5714 ± 0.0004 Å
• b: 13.0479 ± 0.0004 Å
• c: 25.9366 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3916 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No