Information card for entry 4066049

Structure parameters

• Formula: C22 H13 F4 P
• Calculated formula: C22 H13 F4 P
• SMILES: P(c1cccc2c(F)c(F)c(F)c(F)c12)(c1ccccc1)c1ccccc1
• 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: 30.75 ± 0.006 Å
• b: 6.9862 ± 0.0014 Å
• c: 15.815 ± 0.003 Å
• α: 90°
• β: 100.295 ± 0.004°
• γ: 90°
• Cell volume: 3342.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No