Information card for entry 7024376

Structure parameters

• Formula: C22 H18 Cl2 F6 N2 O2 Zr
• Calculated formula: C22 H18 Cl2 F6 N2 O2 Zr
• SMILES: FC(C1=CC(C)=[N]([Zr]2(Cl)([N](=C(C=C(C(F)(F)F)O2)C)c2ccccc2)(O1)Cl)c1ccccc1)(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: 9.7961 ± 0.0006 Å
• b: 14.0461 ± 0.0008 Å
• c: 18.3236 ± 0.0012 Å
• α: 90°
• β: 95.011 ± 0.005°
• γ: 90°
• Cell volume: 2511.6 ± 0.3 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: 0.0473
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No