Information card for entry 4087340

Structure parameters

• Formula: C52 H51 Cl10 N3 O Pd
• Calculated formula: C52 H51 Cl10 N3 O Pd
• 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: 21.5758 ± 0.0018 Å
• b: 14.2713 ± 0.0012 Å
• c: 18.9212 ± 0.0015 Å
• α: 90°
• β: 115.547 ± 0.002°
• γ: 90°
• Cell volume: 5256.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No