Information card for entry 4077687

Structure parameters

• Formula: C24 H16 B F15 N O
• Calculated formula: C24 H16 B F15 N O
• SMILES: [NH+](CC)(CC)CC.[O-][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: 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: 11.891 ± 0.002 Å
• b: 15.397 ± 0.002 Å
• c: 14.23 ± 0.002 Å
• α: 90°
• β: 107.098 ± 0.003°
• γ: 90°
• Cell volume: 2490.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No