Information card for entry 7021598

Structure parameters

• Formula: C45 H55 Cl2 N Si Zr
• Calculated formula: C45 H55 Cl2 N Si Zr
• Title of publication: Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.
• Authors of publication: Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9139 - 9147
• a: 15.5695 ± 0.0014 Å
• b: 15.11 ± 0.0013 Å
• c: 18.8408 ± 0.0019 Å
• α: 90°
• β: 112.982 ± 0.003°
• γ: 90°
• Cell volume: 4080.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No