Information card for entry 4121790

Structure parameters

• Formula: C49 H26 Br2 Cl2 F12 N2 Ni
• Calculated formula: C49 H26 Br2 Cl2 F12 N2 Ni
• Title of publication: Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline "Polyethylene" from α-Olefins by Combining Two Rare Catalytic Events.
• Authors of publication: Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 20
• Pages of publication: 7213 - 7216
• a: 11.5011 ± 0.0006 Å
• b: 17.3566 ± 0.0008 Å
• c: 22.7205 ± 0.001 Å
• α: 86.209 ± 0.002°
• β: 85.802 ± 0.002°
• γ: 85.61 ± 0.002°
• Cell volume: 4501.7 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No