Information card for entry 7024379

Structure parameters

• Formula: C22 H14 Cl2 F10 N2 O2 Zr
• Calculated formula: C22 H14 Cl2 F10 N2 O2 Zr
• SMILES: FC(C1=CC(C)=[N]([Zr]2(Cl)([N](=C(C=C(C(F)(F)F)O2)C)c2c(cccc2F)F)(O1)Cl)c1c(cccc1F)F)(F)F
• Title of publication: Zirconium enolatoimine complexes in olefin polymerization.
• Authors of publication: Yu, Sze-Man; Tritschler, Ulrich; Göttker-Schnetmann, Inigo; Mecking, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4612 - 4618
• a: 10.3139 ± 0.0013 Å
• b: 13.3171 ± 0.0014 Å
• c: 19.161 ± 0.002 Å
• α: 90°
• β: 95.468 ± 0.009°
• γ: 90°
• Cell volume: 2619.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No