Information card for entry 4063559

Structure parameters

• Formula: C32 H42 B F3 K O6.5 P
• Calculated formula: C32 H42 B F3 K O6.5 P
• SMILES: B(F)([F]1)(c2ccccc2P(c2ccccc2)c2ccccc2)[F][K]123456[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC1.C1CCCO1
• 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: 36.57 ± 0.006 Å
• b: 9.577 ± 0.0015 Å
• c: 19.945 ± 0.003 Å
• α: 90°
• β: 107.141 ± 0.003°
• γ: 90°
• Cell volume: 6675.1 ± 1.8 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: 0.0555
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No