Information card for entry 4112439

Structure parameters

• Formula: C49 H40 Al F15 O2 Zr
• Calculated formula: C48 H26 Al F15 O2 Zr
• Title of publication: ansa-Zirconocene Ester Enolates: Synthesis, Structure, Reaction with Organo-Lewis Acids, and Application to Polymerization of Methacrylates
• Authors of publication: Andrew D. Bolig; Eugene Y.-X. Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4897 - 4906
• a: 27.806 ± 0.004 Å
• b: 17.103 ± 0.002 Å
• c: 20.876 ± 0.003 Å
• α: 90°
• β: 122.463 ± 0.003°
• γ: 90°
• Cell volume: 8377 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No