Information card for entry 4068202

Structure parameters

• Formula: C23 H17 Cl2 F6 N3 Ni
• Calculated formula: C23 H17 Cl2 F6 N3 Ni
• SMILES: [Ni]12(Cl)(Cl)[N](=C(C)c3[n]2c(C(=[N]1c1ccccc1C(F)(F)F)C)ccc3)c1ccccc1C(F)(F)F
• Title of publication: Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups
• Authors of publication: Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1143
• a: 15.329 ± 0.003 Å
• b: 17.834 ± 0.004 Å
• c: 19.773 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5405.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No