Information card for entry 4083717

Structure parameters

• Formula: C30 H34 F6 N O3 P2 Pd Sb
• Calculated formula: C30 H34 F6 N O3 P2 Pd Sb
• SMILES: C[Pd]1([n]2c(cccc2C)C)[O]=P(c2ccccc2[P]1(c1ccccc1)c1ccccc1)(OC=C)OC=C.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: 9.912 ± 0.004 Å
• b: 11.513 ± 0.005 Å
• c: 14.292 ± 0.006 Å
• α: 90.576 ± 0.008°
• β: 98.52 ± 0.008°
• γ: 94.955 ± 0.008°
• Cell volume: 1606.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1457
• 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