Information card for entry 4083437

Structure parameters

• Formula: C38 H24 F22 N2 O2 Zr
• Calculated formula: C38 H24 F22 N2 O2 Zr
• SMILES: [Zr]12(Cc3ccccc3)(Cc3ccccc3)([N](c3c(c(c(c(c3F)F)F)F)F)=C(C)CC(O1)(C(F)(F)F)C(F)(F)F)[N](c1c(c(c(c(c1F)F)F)F)F)=C(C)CC(O2)(C(F)(F)F)C(F)(F)F
• Title of publication: Group 4 Metal Complexes of Fluorous (Di)Alkoxide-(Di)Imino Ligands: Synthesis, Structure, Olefin Polymerization Catalysis, and Decomposition Pathways
• Authors of publication: Marquet, Nicolas; Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 606
• a: 10.1292 ± 0.0005 Å
• b: 19.7931 ± 0.0009 Å
• c: 19.992 ± 0.0009 Å
• α: 90°
• β: 102.105 ± 0.002°
• γ: 90°
• Cell volume: 3919 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0383
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No