Information card for entry 4063555

Structure parameters

• Common name: in paper 6a
• Formula: C25 H33 B F3 N2 P Pd
• Calculated formula: C25 H33 B F3 N2 P Pd
• SMILES: [Pd]1([P](c2c(cccc2)[B](F)(F)F)(c2ccccc2)c2ccccc2)([N](CC[N]1(C)C)(C)C)C
• Title of publication: Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands
• Authors of publication: Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4236
• a: 8.6824 ± 0.0007 Å
• b: 17.6813 ± 0.0014 Å
• c: 16.3563 ± 0.0013 Å
• α: 90°
• β: 99.2059 ± 0.0011°
• γ: 90°
• Cell volume: 2478.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No