Information card for entry 4025070

Structure parameters

• Formula: C28 H61 Cl P2 Pd2
• Calculated formula: C28 H61 Cl P2 Pd2
• SMILES: [CH2]1=[C]23(C[Pd]43([Cl][Pd]124[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C
• Title of publication: Zinc Chloride-Promoted Aryl Bromide-Alkyne Cross-Coupling Reactions at Room Temperature
• Authors of publication: Aaron D. Finke; Eric C. Elleby; Michael J. Boyd; Haim Weissman; Jeffrey S. Moore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8897 - 8900
• a: 8.801 ± 0.003 Å
• b: 27.259 ± 0.009 Å
• c: 13.646 ± 0.005 Å
• α: 90°
• β: 94.24 ± 0.006°
• γ: 90°
• Cell volume: 3264.7 ± 1.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No