Information card for entry 4132992

Structure parameters

• Common name: (5-fp)RhTFA
• Formula: C24 H18 F3 N4 O2 Rh
• Calculated formula: C24 H18 F3 N4 O2 Rh
• SMILES: [Rh]12(OC(=O)C(F)(F)F)([n]3c4n(c5c(n6c7[n]1cccc7cc6)cccc5)ccc4ccc3)[CH2]=[CH2]2
• Title of publication: Catalytic Synthesis of Superlinear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a "Capping Arene" Ligand: Access to Aerobic Catalysis.
• Authors of publication: Chen, Junqi; Nielsen, Robert J.; Goddard, 3rd, William A; McKeown, Bradley A.; Dickie, Diane A.; Gunnoe, T. Brent
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 17007 - 17018
• a: 7.9741 ± 0.0006 Å
• b: 12.0163 ± 0.0009 Å
• c: 14.0689 ± 0.0011 Å
• α: 76.587 ± 0.001°
• β: 77.576 ± 0.001°
• γ: 80.26 ± 0.001°
• Cell volume: 1270.46 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0514
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No