Information card for entry 4087339

Structure parameters

• Formula: C61 H84 Cl4 F6 N6 O8 Pd2 S2
• Calculated formula: C61 H84 Cl4 F6 N6 O8 Pd2 S2
• Title of publication: Copolymerization of Ethylene with Acrylate Monomers by Amide-Functionalized α-Diimine Pd Catalysts
• Authors of publication: Zhai, Feng; Solomon, Joseph B.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1873
• a: 15.5396 ± 0.0008 Å
• b: 20.2487 ± 0.001 Å
• c: 25.5041 ± 0.0013 Å
• α: 90°
• β: 101.408 ± 0.002°
• γ: 90°
• Cell volume: 7866.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1056
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No