Information card for entry 4129756

Structure parameters

• Formula: C51 H58 N Ni O4 P
• Calculated formula: C51 H58 N Ni O4 P
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](=Cc2c(O1)c(OCCOCCOC)ccc2)c1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C)C)C
• 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: 24.313 ± 0.0012 Å
• b: 9.277 ± 0.0005 Å
• c: 19.2048 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4331.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No