Information card for entry 4117354

Structure parameters

• Chemical name: complex 5
• Formula: C32 H32 F6 N2 Rh Sb
• Calculated formula: C32 H32 F6 N2 Rh Sb
• SMILES: [Rh]12345([n]6c(cccc6)c6ccccc6)([n]6c(cccc6)c6ccccc16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Sb](F)(F)([F-])(F)(F)F
• 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: 13.046 ± 0.003 Å
• b: 13.991 ± 0.003 Å
• c: 16.446 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3001.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No