Information card for entry 4066053

Structure parameters

• Formula: C25 H18 Cl F4 P Pd
• Calculated formula: C25 H18 Cl F4 P Pd
• SMILES: [Pd]12(Cl)([P](c3cccc4c(F)c(F)c(F)c(F)c34)(c3ccccc3)c3ccccc3)C[CH]2=[CH2]1
• Title of publication: Remote C−F−Metal Interactions in Late-Transition-Metal Complexes
• Authors of publication: Stanek, Kyrill; Czarniecki, Barbara; Aardoom, Raphael; Rüegger, Heinz; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2540
• a: 12.554 ± 0.003 Å
• b: 13.458 ± 0.003 Å
• c: 14.177 ± 0.004 Å
• α: 90°
• β: 108.461 ± 0.005°
• γ: 90°
• Cell volume: 2272 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No