Information card for entry 4075816

Structure parameters

• Formula: C40 H28 B F15 O2 S Zr
• Calculated formula: C40 H28 B F15 O2 S Zr
• SMILES: [Zr]12345678(Sc9ccccc9OC)([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)[O]1CCCC1.C[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Model Studies of Methacrylate Chain Transfer Polymerization Mediated by Cationic Zirconocenetert-Butyl Enolate
• Authors of publication: Lian, Bing; Lehmann, Christian W.; Navarro, Christophe; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2466
• a: 12.9296 ± 0.0002 Å
• b: 12.9776 ± 0.0002 Å
• c: 22.904 ± 0.0003 Å
• α: 90°
• β: 105.394 ± 0.001°
• γ: 90°
• Cell volume: 3705.3 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No