Information card for entry 4063561

Structure parameters

• Formula: C27 H28 B F3 N P Pd
• Calculated formula: C27 H28 B F3 N P Pd
• SMILES: [B](c1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Pd](C)[n]1c(cc(cc1C)C)C)(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: 10.125 ± 0.004 Å
• b: 10.831 ± 0.004 Å
• c: 11.555 ± 0.005 Å
• α: 94.117 ± 0.006°
• β: 100.285 ± 0.006°
• γ: 90.082 ± 0.007°
• Cell volume: 1243.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No