Information card for entry 4129759

Structure parameters

• Formula: C128 H118 B F24 N2 Na Ni2 O8 P2
• Calculated formula: C128 H118 B F24 N2 Na Ni2 O8 P2
• SMILES: [Na]1234([O](c5c6O[Ni]([P](c7ccccc7)(c7ccccc7)c7ccccc7)([N](=Cc6ccc5)c5c(cccc5C(C)C)C(C)C)c5ccccc5)CC[O]1CC[O]2C)[O](c1c2O[Ni]([P](c5ccccc5)(c5ccccc5)c5ccccc5)([N](=Cc2ccc1)c1c(cccc1C(C)C)C(C)C)c1ccccc1)CC[O]3CC[O]4C.FC(F)(F)c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
• Title of publication: Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.
• Authors of publication: Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15501 - 15510
• a: 12.0736 ± 0.001 Å
• b: 59.562 ± 0.005 Å
• c: 17.2666 ± 0.0014 Å
• α: 90°
• β: 101.397 ± 0.004°
• γ: 90°
• Cell volume: 12172 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.1364
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No