Information card for entry 4067328

Structure parameters

• Chemical name: 2,2,6,6-Tetramethylpiperidinium {2-[bis(pentafluorophenyl)boranyl]-1-(pentafluorophenyl)ethenyl}\ [tris(pentafluorophenyl)]borate
• Formula: C50 H24 B2 F30 N
• Calculated formula: C50 H24 B2 F30 N
• Title of publication: Activation of Terminal Alkynes by Frustrated Lewis Pairs
• Authors of publication: Jiang, Chunfang; Blacque, Olivier; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 125
• a: 11.7619 ± 0.0004 Å
• b: 11.9617 ± 0.0004 Å
• c: 20.1408 ± 0.0007 Å
• α: 84.658 ± 0.003°
• β: 75.635 ± 0.003°
• γ: 60.642 ± 0.004°
• Cell volume: 2391.16 ± 0.17 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No