Information card for entry 4112713

Structure parameters

• Formula: C33.32 H52.64 Cl4.64 Si2 Zr
• Calculated formula: C33.3232 H52.6464 Cl4.6464 Si2 Zr
• Title of publication: Kinetic Resolution of Chiral α-Olefins Using Optically Active ansa-Zirconocene Polymerization Catalysts
• Authors of publication: Cliff R. Baar; Christopher J. Levy; Endy Y.-J. Min; Lawrence M. Henling; Michael W. Day; John E. Bercaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8216 - 8231
• a: 13.2833 ± 0.0007 Å
• b: 19.3805 ± 0.001 Å
• c: 14.7651 ± 0.0008 Å
• α: 90°
• β: 107.195 ± 0.001°
• γ: 90°
• Cell volume: 3631.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No