Information card for entry 4063560

Structure parameters

• Formula: C35 H49 B Cl F3 K O7 P Pd
• Calculated formula: C35 H49 B Cl F3 K O7 P Pd
• SMILES: [B]1([F]2)([F][Pd](C)([P](c3ccccc3)(c3ccccc3)c3ccccc13)Cl)[F][K]213456[O]2CC[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC2.O1CCCC1
• 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: 8.6347 ± 0.0018 Å
• b: 10.183 ± 0.002 Å
• c: 21.685 ± 0.005 Å
• α: 88.88 ± 0.004°
• β: 88.417 ± 0.004°
• γ: 80.507 ± 0.004°
• Cell volume: 1879.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No