Information card for entry 4067205

Structure parameters

• Formula: C45 H31 B Cl2 F15 P
• Calculated formula: C45 H31 B Cl2 F15 P
• SMILES: ClCCl.[PH+](C(=C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 12.301 ± 0.0004 Å
• b: 12.8632 ± 0.0004 Å
• c: 15.223 ± 0.0005 Å
• α: 74.32 ± 0.001°
• β: 67.209 ± 0.001°
• γ: 69.473 ± 0.002°
• Cell volume: 2054.31 ± 0.12 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: 0.062
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No