Information card for entry 4081423

Structure parameters

• Formula: C47 H34 Br2 Cl2 N2 Ni
• Calculated formula: C47 H34 Br2 Cl2 N2 Ni
• Title of publication: Synthesis of Highly Branched Polyethylene Using “Sandwich” (8-p-Tolyl naphthyl α-diimine)nickel(II) Catalysts
• Authors of publication: Zhang, Danfeng; Nadres, Enrico T.; Brookhart, Maurice; Daugulis, Olafs
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5136
• a: 11.2669 ± 0.0002 Å
• b: 12.4336 ± 0.0002 Å
• c: 13.9921 ± 0.0002 Å
• α: 90°
• β: 97.921 ± 0.001°
• γ: 90°
• Cell volume: 1941.43 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No