Information card for entry 4087882

Structure parameters

• Formula: C60 H57.85 B Cl0.15 Ni P3
• Calculated formula: C60 H57.85 B Cl0.15 Ni P3
• Title of publication: Zwitterionic Nickel(II) Catalyst for CO‒Ethylene Alternating Copolymerization
• Authors of publication: Jia, Xiaofei; Zhang, Mengru; Pan, Fan; Babahan, Ilknur; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Ziegler, Christopher J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4798
• a: 16.2151 ± 0.0018 Å
• b: 16.799 ± 0.002 Å
• c: 23.914 ± 0.003 Å
• α: 90°
• β: 109.426 ± 0.005°
• γ: 90°
• Cell volume: 6143.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No