Information card for entry 7061745

Structure parameters

• Formula: C21.5 H22 Cl F2 N2 O0.5 Rh
• Calculated formula: C21.5 H22 Cl F2 N2 O0.5 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=C5N4C=CC=C5)c4c(F)c(F)ccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.OC
• 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: 11.4699 ± 0.0004 Å
• b: 12.917 ± 0.0005 Å
• c: 14.2006 ± 0.0006 Å
• α: 82.8863 ± 0.0012°
• β: 82.5363 ± 0.0011°
• γ: 70.1362 ± 0.0011°
• Cell volume: 1954.79 ± 0.13 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No