Information card for entry 4117356

Structure parameters

• Common name: complex 4c
• Formula: C34 H37 F9 N2 O2 Rh Sb
• Calculated formula: C34 H37 F9 N2 O2 Rh Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Rh]123456([O]=C(OC(C)(C)C)N2C(c2c(c7[n]1cccc7)cccc2)c1ccc(cc1)C(F)(F)F)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate
• Authors of publication: Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1482 - 1485
• a: 20.9479 ± 0.0015 Å
• b: 10.8946 ± 0.0003 Å
• c: 17.4188 ± 0.0004 Å
• α: 90°
• β: 110.357 ± 0.008°
• γ: 90°
• Cell volume: 3727 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No