Information card for entry 7024378

Structure parameters

• Formula: C34 H42 Cl2 F6 N2 O2 Zr
• Calculated formula: C34 H42 Cl2 F6 N2 O2 Zr
• SMILES: [Zr]12(Cl)(Cl)(OC(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C(F)(F)F)OC(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C(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: 11.652 ± 0.003 Å
• b: 11.781 ± 0.002 Å
• c: 13.684 ± 0.002 Å
• α: 74.216 ± 0.012°
• β: 82.723 ± 0.017°
• γ: 86.135 ± 0.017°
• Cell volume: 1792 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No