Information card for entry 1548059

Structure parameters

• Formula: C98 H80 Cl4 Ni2 O6 P4 S2
• Calculated formula: C98 H80 Cl4 Ni2 O6 P4 S2
• Title of publication: Phosphine-sulfonate-based Nickel Catalysts: Ethylene Polymerization and Copolymerization with Polar-functionalized Norbornenes
• Authors of publication: Song, Guangzhi; Pang, Wen-Min; Li, Weimin; Chen, Min; Chen, Changle
• Journal of publication: Polymer Chemistry
• Year of publication: 2017
• a: 11.0906 ± 0.001 Å
• b: 18.6539 ± 0.0012 Å
• c: 21.985 ± 0.0018 Å
• α: 90°
• β: 114.088 ± 0.003°
• γ: 90°
• Cell volume: 4152.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1013
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No