Information card for entry 4083718

Structure parameters

• Formula: C32 H40 F6 N O5 P2 Pd Sb
• Calculated formula: C32 H40 F6 N O5 P2 Pd Sb
• SMILES: C[Pd]1([n]2c(cccc2C)C)[O]=P(c2c(cccc2)[P]1(c1ccccc1OC)c1ccccc1OC)(OCC)OCC.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands
• Authors of publication: Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140623145555006
• a: 26.0765 ± 0.0011 Å
• b: 10.245 ± 0.0005 Å
• c: 13.4739 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3599.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No