Information card for entry 4104522

Structure parameters

• Formula: C38 H62 Cl2 F6 P2 Pd2
• Calculated formula: C38 H61 Cl2 F6 P2 Pd2
• Title of publication: Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes
• Authors of publication: Fabiola Barrios-Landeros; Brad P. Carrow; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8141 - 8154
• a: 8.29 ± 0.0017 Å
• b: 24.948 ± 0.005 Å
• c: 10.626 ± 0.002 Å
• α: 90°
• β: 106.86 ± 0.03°
• γ: 90°
• Cell volume: 2103.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No