Information card for entry 4130719

Structure parameters

• Formula: C53.92 H70.81 Cl5.04 N O3 P Pd
• Calculated formula: C53.924 H70.81 Cl5.038 N O3 P Pd
• Title of publication: Biaryl Phosphine Based Pd(II) Amido Complexes: The Effect of Ligand Structure on Reductive Elimination.
• Authors of publication: Arrechea, Pedro Luis; Buchwald, Stephen L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 38
• Pages of publication: 12486 - 12493
• a: 10.6412 ± 0.0004 Å
• b: 21.109 ± 0.0007 Å
• c: 24.0776 ± 0.0008 Å
• α: 90°
• β: 98.404 ± 0.001°
• γ: 90°
• Cell volume: 5350.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No