Information card for entry 4068346

Structure parameters

• Formula: C30 H28 F10 N6 Zr
• Calculated formula: C30 H28 F10 N6 Zr
• SMILES: [Zr]123(F)([n]4c(CN1c1c(F)c(F)c(F)c(F)c1F)cccc4C)(N(c1c(F)c(F)c(F)c(F)c1[N]3(C)C)Cc1[n]2c(ccc1)C)N(C)C
• 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: 9.463 ± 0.002 Å
• b: 12.446 ± 0.003 Å
• c: 12.821 ± 0.003 Å
• α: 90.499 ± 0.006°
• β: 93.571 ± 0.007°
• γ: 96.789 ± 0.006°
• Cell volume: 1496.3 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No