Information card for entry 4077688

Structure parameters

• Formula: C61 H75 B F15 N O13 Si8
• Calculated formula: C61 H75 B F15 N O13 Si8
• SMILES: [Si]12(O[B](c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1.[NH+](c1ccccc1)(C)C
• Title of publication: Silica-Grafted Borato Cocatalysts for Olefin Polymerization Modeled by Silsesquioxane−Borato Complexes
• Authors of publication: Duchateau, Robbert; van Santen, Rutger A.; Yap, G. P. A.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 809
• a: 17.05 ± 0.003 Å
• b: 20.919 ± 0.004 Å
• c: 20.046 ± 0.004 Å
• α: 90°
• β: 90.975 ± 0.004°
• γ: 90°
• Cell volume: 7149 ± 2 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 7
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No