Information card for entry 4518515

Structure parameters

• Formula: C40 H69 B11 Cl11 F N2 Si2 Ti2
• Calculated formula: C40 H69 B11 Cl11 F N2 Si2 Ti2
• Title of publication: Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts
• Authors of publication: Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 3335 - 3342
• a: 12.1095 ± 0.0013 Å
• b: 15.0642 ± 0.0017 Å
• c: 17.4165 ± 0.0019 Å
• α: 83.88 ± 0.001°
• β: 75.362 ± 0.001°
• γ: 85.783 ± 0.001°
• Cell volume: 3052.9 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No