Information card for entry 4112248

Structure parameters

• Formula: C19 H22 Zr
• Calculated formula: C19 H22 Zr
• SMILES: [Zr]123456789(C)(C)[cH]%10[cH]1[c]12[c]3(cccc1)[c]4%10C(C)(C)[c]15[cH]6[cH]7[cH]8[cH]91
• 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: 7.504 ± 0.001 Å
• b: 7.611 ± 0.001 Å
• c: 13.86 ± 0.001 Å
• α: 84.1 ± 0.01°
• β: 88.18 ± 0.01°
• γ: 80.42 ± 0.01°
• Cell volume: 776.32 ± 0.16 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No