Information card for entry 4134600

Structure parameters

• Formula: C42.5 H32 Cl5 F3 N2 O Pd
• Calculated formula: C42.5 H32 Cl5 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: 17.8071 ± 0.0013 Å
• b: 20.7861 ± 0.0017 Å
• c: 11.1015 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4109.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No