Information card for entry 4134602

Structure parameters

• Formula: C45 H26 Cl4 F6 N2 Ni O
• Calculated formula: C45 H26 Cl4 F6 N2 Ni O
• 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: 11.3097 ± 0.001 Å
• b: 16.5092 ± 0.0015 Å
• c: 21.156 ± 0.002 Å
• α: 90°
• β: 91.13 ± 0.001°
• γ: 90°
• Cell volume: 3949.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No