Information card for entry 4087182

Structure parameters

• Formula: C86 H74 B2 Cl6 F12 Ni P4
• Calculated formula: C86 H74 B2 Cl6 F12 Ni 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: 26.6882 ± 0.0019 Å
• b: 22.5195 ± 0.0016 Å
• c: 30.2864 ± 0.0019 Å
• α: 90°
• β: 103.092 ± 0.004°
• γ: 90°
• Cell volume: 17729 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.3274
• Weighted residual factors for all reflections included in the refinement: 0.3541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No