Information card for entry 4081211

Structure parameters

• Formula: C32 H28 Cl4 F6 P2 Pd2
• Calculated formula: C32 H28 Cl4 F6 P2 Pd2
• SMILES: C(C[P]([Pd]1([Cl][Pd]([P](CCC(=C(F)F)F)(c2ccccc2)c2ccccc2)([Cl]1)Cl)Cl)(c1ccccc1)c1ccccc1)C(=C(F)F)F
• 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: 7.4163 ± 0.0011 Å
• b: 9.9658 ± 0.0006 Å
• c: 12.6465 ± 0.0019 Å
• α: 92.188 ± 0.008°
• β: 99.326 ± 0.013°
• γ: 104.527 ± 0.009°
• Cell volume: 889.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No