Information card for entry 4068204

Structure parameters

• Formula: C23 H21 Cl2 F8 N3 Ni O3
• Calculated formula: C23 H21 Cl2 F8 N3 Ni O3
• SMILES: [Ni]12([OH2])([N](=C(C)c3[n]1c(ccc3)C(=[N]2c1ccc(F)c(c1)C(F)(F)F)C)c1ccc(F)c(c1)C(F)(F)F)([OH2])[OH2].[Cl-].[Cl-]
• 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: 8.328 ± 0.0017 Å
• b: 24.098 ± 0.005 Å
• c: 15.765 ± 0.003 Å
• α: 90°
• β: 103.39 ± 0.03°
• γ: 90°
• Cell volume: 3077.8 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No