Information card for entry 4113329

Structure parameters

• Formula: C39 H61 Cl2 N O Si Zr
• Calculated formula: C39 H61 Cl2 N O Si Zr
• Title of publication: A Sterically Expanded "Constrained Geometry Catalyst" for Highly Active Olefin Polymerization and Copolymerization: An Unyielding Comonomer Effect
• Authors of publication: Levi J. Irwin; Joseph H. Reibenspies; Stephen A. Miller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16716 - 16717
• a: 24.079 ± 0.006 Å
• b: 11.723 ± 0.003 Å
• c: 14.917 ± 0.003 Å
• α: 90°
• β: 109.199 ± 0.005°
• γ: 90°
• Cell volume: 3976.6 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No