Information card for entry 4085186

Structure parameters

• Formula: C54 H40 Cl2 F4 N2 Ni
• Calculated formula: C54 H40 Cl2 F4 N2 Ni
• SMILES: [Ni]1(Cl)(Cl)[N](=C2C(=[N]1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C)C(c1ccc(F)cc1)c1ccc(F)cc1)c1c3c(ccc1)cccc23)c1c(cc(cc1C)C)C
• Title of publication: Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives
• Authors of publication: Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 582
• a: 18.094 ± 0.004 Å
• b: 10.722 ± 0.002 Å
• c: 27.958 ± 0.006 Å
• α: 90°
• β: 100.84 ± 0.03°
• γ: 90°
• Cell volume: 5327 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No