Information card for entry 4126296

Structure parameters

• Formula: C32 H34 Cl D6 F12 N6 P2 Rh Sb2
• Calculated formula: C32 H34 Cl D6 F12 N6 P2 Rh Sb2
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.[Rh]1(Cl)([P](=C2N(CCN2C)C)(=C2N(CCN2C)C)c2ccccc2[P]1(c1ccccc1)c1ccccc1)[N]#CC([2H])([2H])[2H].N#CC([2H])([2H])[2H]
• 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: 17.492 ± 0.002 Å
• b: 15.774 ± 0.002 Å
• c: 17.985 ± 0.002 Å
• α: 90°
• β: 111.088 ± 0.002°
• γ: 90°
• Cell volume: 4630.1 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No