Information card for entry 4075880

Structure parameters

• Formula: C31 H23 B F15 N
• Calculated formula: C31 H23 B F15 N
• SMILES: [NH+](C)(C)c1ccccc1.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)CC(C)(C)C
• Title of publication: Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization
• Authors of publication: Bavarian, Neda; Baird, Michael C.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2889
• a: 8.34 ± 0.002 Å
• b: 15.235 ± 0.004 Å
• c: 23.409 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2974.3 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No