Information card for entry 4068345

Structure parameters

• Formula: C27 H18 Cl4 F10 N4 Zr
• Calculated formula: C27 H18 Cl4 F10 N4 Zr
• SMILES: Cl[Zr]12(Cl)(N(c3c(F)c(F)c(F)c(F)c3F)Cc3[n]1c(ccc3)C)N(c1c(F)c(F)c(F)c(F)c1F)Cc1[n]2c(ccc1)C.C(Cl)Cl
• Title of publication: Bis[(amidomethyl)pyridine] Zirconium(IV) Complexes: Synthesis, Characterization, and Activity as Olefin Polymerization Catalysts†
• Authors of publication: Annunziata, Liana; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 688
• a: 10.752 ± 0.003 Å
• b: 13.018 ± 0.003 Å
• c: 22.022 ± 0.005 Å
• α: 90°
• β: 90.512 ± 0.007°
• γ: 90°
• Cell volume: 3082.3 ± 1.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.1492
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No