Information card for entry 4105149

Structure parameters

• Formula: C28 H40 Cl6 N O3 P Pd S
• Calculated formula: C28 H40 Cl6 N O3 P Pd S
• SMILES: [Pd]1(C)([P](c2c(cccc2)S(=O)(=O)O1)(C1CCCCC1)C1CCCCC1)[n]1c(cccc1C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Copolymerization of Vinyl Acetate with Ethylene by Palladium/Alkylphosphine-Sulfonate Catalysts
• Authors of publication: Shingo Ito; Kagehiro Munakata; Akifumi Nakamura; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14606 - 14607
• a: 13.59 ± 0.003 Å
• b: 16.051 ± 0.004 Å
• c: 16.89 ± 0.004 Å
• α: 90°
• β: 111.273 ± 0.0011°
• γ: 90°
• Cell volume: 3433.2 ± 1.4 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No