Information card for entry 4105670

Structure parameters

• Formula: C43 H55 F6 N2 P Rh Sb
• Calculated formula: C43 H55 F6 N2 P Rh Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Rh]1234([P](C5CCCCC5)(C5CCCCC5)c5c(cccc5)[c]51c(N(C)C)ccc[cH]25)[NH2]CC(C[CH]3=[CH2]4)(c1ccccc1)c1ccccc1
• Title of publication: Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes
• Authors of publication: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2772 - 2782
• a: 9.3718 ± 0.0012 Å
• b: 15.838 ± 0.002 Å
• c: 14.0215 ± 0.0018 Å
• α: 90°
• β: 98.362 ± 0.009°
• γ: 90°
• Cell volume: 2059.1 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No