Information card for entry 4068027

Structure parameters

• Formula: C28 H34 N2 Ni O2
• Calculated formula: C28 H34 N2 Ni O2
• SMILES: [Ni]1([N](c2c(cccc2C(C)C)C(C)C)=CC=C(O1)c1ccc(OC)cc1)([n]1ccccc1)C
• Title of publication: Ligand Steric and Electronic Effects on β-Ketiminato Neutral Nickel(II) Olefin Polymerization Catalysts
• Authors of publication: Song, Dong-Po; Shi, Xin-Cui; Wang, Yong-Xia; Yang, Ji-Xing; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 966
• a: 20.7171 ± 0.0017 Å
• b: 14.5516 ± 0.0012 Å
• c: 17.51 ± 0.0015 Å
• α: 90°
• β: 97.569 ± 0.001°
• γ: 90°
• Cell volume: 5232.7 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No