Information card for entry 4087181

Structure parameters

• Formula: C128 H104 B2 Br2 F48 Ni2 P4
• Calculated formula: C128 H104 B2 Br2 F48 Ni2 P4
• Title of publication: Zwitterionic Nickel(II) Catalysts for CO‒Ethylene Alternating Copolymerization
• Authors of publication: Jia, Xiaofei; Zhang, Mengru; Li, Maohua; Pan, Fan; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Engle, James T.; Ziegler, Christopher J.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 6
• Pages of publication: 1122
• a: 18.5059 ± 0.0006 Å
• b: 18.4989 ± 0.0006 Å
• c: 38.0938 ± 0.0012 Å
• α: 90°
• β: 90.809 ± 0.002°
• γ: 90°
• Cell volume: 13039.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No