Information card for entry 4105669

Structure parameters

• Formula: C31 H43.5 B F4 N3.5 P Rh
• Calculated formula: C31 H43.5 B F4 N3.5 P Rh
• SMILES: [Rh]12([P](C3CCCCC3)(C3CCCCC3)c3c(cccc3)[c]31[cH]2cccc3N(C)C)([N]#CC)[N]#CC.N#CC.[B](F)(F)(F)[F-]
• 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: 12.0879 ± 0.0005 Å
• b: 11.8478 ± 0.0005 Å
• c: 45.928 ± 0.002 Å
• α: 90°
• β: 98.067 ± 0.002°
• γ: 90°
• Cell volume: 6512.5 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No