Information card for entry 4119687

Structure parameters

• Common name: MB-V-49
• Chemical name: complex9
• Formula: C23 H25 F7 N2 Rh Sb
• Calculated formula: C23 H25 F7 N2 Rh Sb
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(c2cc(ccc2c2cccc[n]12)F)[N]#CC)C)C)C)C.F[Sb](F)(F)(F)([F-])F
• Title of publication: Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation
• Authors of publication: Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6427 - 6430
• a: 8.6861 ± 0.0012 Å
• b: 10.7322 ± 0.0014 Å
• c: 13.5895 ± 0.0018 Å
• α: 86.896 ± 0.006°
• β: 85.075 ± 0.006°
• γ: 79.653 ± 0.006°
• Cell volume: 1240.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No