Information card for entry 7034184

Structure parameters

• Formula: C41 H32 Br2 F2 N2 Ni
• Calculated formula: C41 H32 Br2 F2 N2 Ni
• SMILES: Br[Ni]1(Br)[N](c2c(C(c3ccc(F)cc3)c3ccc(cc3)F)cc(cc2C)C)=C2C(=[N]1c1c(C)cccc1C)c1cccc3c1c2ccc3
• Title of publication: Ethylene polymerization by the thermally unique 1-[2-(bis(4-fluoro phenyl)methyl)-4,6-dimethylphenylimino]-2-aryliminoacenaphthylnickel precursors.
• Authors of publication: Du, Shizhen; Xing, Qifeng; Flisak, Zygmunt; Yue, Erlin; Sun, Yang; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12282 - 12291
• a: 10.338 ± 0.002 Å
• b: 10.828 ± 0.002 Å
• c: 32.153 ± 0.006 Å
• α: 90°
• β: 96.32 ± 0.03°
• γ: 90°
• Cell volume: 3577.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No