Information card for entry 4067329

Structure parameters

• Chemical name: Tris(pentafluorophenyl)[2-(tri-tert-butylphosphonio)ethenyl]borate
• Formula: C39 H37 B F15 P
• Calculated formula: C39 H37 B F15 P
• SMILES: C(=C\[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)/[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.Cc1ccccc1
• 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: 12.3469 ± 0.0002 Å
• b: 18.0538 ± 0.0002 Å
• c: 17.8463 ± 0.0002 Å
• α: 90°
• β: 104.935 ± 0.002°
• γ: 90°
• Cell volume: 3843.71 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No