Information card for entry 4067204

Structure parameters

• Formula: C38.5 H18 B Cl F15 P
• Calculated formula: C38.5 H18 B Cl F15 P
• SMILES: [PH+](c1ccccc1)(/C(=C/[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes
• Authors of publication: Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6594
• a: 10.7515 ± 0.0009 Å
• b: 19.2509 ± 0.0018 Å
• c: 19.5755 ± 0.0018 Å
• α: 60.875 ± 0.005°
• β: 84.592 ± 0.005°
• γ: 84.082 ± 0.005°
• Cell volume: 3516 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No