Information card for entry 7034185

Structure parameters

• Formula: C42 H34 Br2 F2 N2 Ni
• Calculated formula: C42 H34 Br2 F2 N2 Ni
• SMILES: Br[Ni]1(Br)[N](=C2C(=[N]1c1c(cc(cc1C(c1ccc(cc1)F)c1ccc(F)cc1)C)C)c1c3c2cccc3ccc1)c1c(cc(cc1C)C)C
• 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: 19.295 ± 0.004 Å
• b: 11.616 ± 0.002 Å
• c: 35.044 ± 0.007 Å
• α: 90°
• β: 96.03 ± 0.03°
• γ: 90°
• Cell volume: 7811 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No