Information card for entry 4104521

Structure parameters

• Formula: C48 H76 Cl2 P2 Pd2
• Calculated formula: C48 H76 Cl2 P2 Pd2
• SMILES: [Pd]1([Cl][Pd]([Cl]1)([P](C12CC3CC(C1)CC(C2)C3)(C(C)(C)C)C(C)(C)C)c1ccccc1)([P](C12CC3CC(C1)CC(C2)C3)(C(C)(C)C)C(C)(C)C)c1ccccc1
• 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: 15.251 ± 0.003 Å
• b: 14.575 ± 0.003 Å
• c: 20.401 ± 0.004 Å
• α: 90°
• β: 90.64 ± 0.03°
• γ: 90°
• Cell volume: 4534.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No