Information card for entry 4134601

Structure parameters

• Formula: C44 H27 Cl4 F3 N2 O Pd
• Calculated formula: C44 H27 Cl4 F3 N2 O Pd
• Title of publication: New Neutral Nickel and Palladium Sandwich Catalysts: Synthesis of Ultra-High Molecular Weight Polyethylene (UHMWPE) via Highly Controlled Polymerization and Mechanistic Studies of Chain Propagation.
• Authors of publication: Tran, Quan H.; Brookhart, Maurice; Daugulis, Olafs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 15
• Pages of publication: 7198 - 7206
• a: 11.4494 ± 0.0005 Å
• b: 18.261 ± 0.0009 Å
• c: 19.2278 ± 0.0009 Å
• α: 91.268 ± 0.002°
• β: 95.438 ± 0.002°
• γ: 95.772 ± 0.002°
• Cell volume: 3979.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No