Information card for entry 4063562

Structure parameters

• Formula: C29 H27 B F3 N2 P Pd
• Calculated formula: C29 H27 B F3 N2 P Pd
• SMILES: [B](c1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Pd](C)([n]1ccccc1)[n]1ccccc1)(F)(F)F
• Title of publication: Synthesis, Structures, and Ethylene Dimerization Reactivity of Palladium Alkyl Complexes That Contain a Chelating Phosphine‒Trifluoroborate Ligand
• Authors of publication: Kim, Youngmin; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4250
• a: 17.395 ± 0.004 Å
• b: 10.217 ± 0.002 Å
• c: 31.604 ± 0.007 Å
• α: 90°
• β: 103.764 ± 0.003°
• γ: 90°
• Cell volume: 5456 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No