Information card for entry 4126297

Structure parameters

• Formula: C38 H45 B2 Cl F8 N5 P2 Rh
• Calculated formula: C38 H45 B2 Cl F8 N5 P2 Rh
• SMILES: [Rh]1(Cl)([P](=C2N(CCN2C)C)(=C2N(CCN2C)C)c2cccc(c2c2c([P]1(c1ccccc1)c1ccccc1)cccc2C)C)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.
• Authors of publication: Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 13
• Pages of publication: 4948 - 4953
• a: 17.7583 ± 0.0018 Å
• b: 12.1947 ± 0.0012 Å
• c: 18.3067 ± 0.0018 Å
• α: 90°
• β: 91.115 ± 0.002°
• γ: 90°
• Cell volume: 3963.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No