Information card for entry 4081209

Structure parameters

• Formula: C22 H17 Cl4 F4 P Pd
• Calculated formula: C22 H17 Cl4 F4 P Pd
• SMILES: [Pd]12([CH](=[CH]1C)c1c([P]2(c2ccccc2)c2ccccc2)c(c(c(c1F)F)F)F)(Cl)Cl.C(Cl)Cl
• Title of publication: Phosphines with Tethered Electron-Withdrawing Olefins as Ligands for Efficient Pd-Catalyzed Aryl-Alkyl Coupling
• Authors of publication: Gioria, Estefanía; Martínez-Ilarduya, Jesús M.; García-Cuadrado, Domingo; Miguel, Jesús A.; Genov, Miroslav; Espinet, Pablo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4255
• a: 16.2808 ± 0.0003 Å
• b: 8.12747 ± 0.00015 Å
• c: 18.6716 ± 0.0004 Å
• α: 90°
• β: 90.6167 ± 0.0017°
• γ: 90°
• Cell volume: 2470.51 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No