Information card for entry 4112249

Structure parameters

• Formula: C15 H20 Cl2 Si Zr
• Calculated formula: C15 H20 Cl2 Si Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10([Si]([c]%115[cH]6[cH]7[c]8([cH]9%11)C(C)C)(C)C)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: (Butadiene)metallocene/B(C6F5)3 Pathway to Catalyst Systems for Stereoselective Methyl Methacrylate Polymerization: Evidence for an Anion Dependent Metallocene Catalyzed Polymerization Process
• Authors of publication: Joachim W. Strauch; Jean-Luc Fauré; Stéphane Bredeau; Cun Wang; Gerald Kehr; Roland Fröhlich; Heinrich Luftmann; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2089 - 2104
• a: 7.946 ± 0.001 Å
• b: 9.841 ± 0.001 Å
• c: 12.337 ± 0.001 Å
• α: 73.36 ± 0.01°
• β: 77.47 ± 0.01°
• γ: 68.24 ± 0.01°
• Cell volume: 851.77 ± 0.17 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No