Information card for entry 4130720

Structure parameters

• Formula: C61.55 H82.84 N O5 P Pd
• Calculated formula: C61.5493 H82.8583 N O5 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: 17.8561 ± 0.0014 Å
• b: 18.1897 ± 0.0014 Å
• c: 19.0033 ± 0.0014 Å
• α: 72.848 ± 0.001°
• β: 79.98 ± 0.001°
• γ: 77.541 ± 0.001°
• Cell volume: 5718.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No