Information card for entry 4067211

Structure parameters

• Formula: C80 H40 B2 Cl4 F30 P2
• Calculated formula: C80 H40 B2 Cl4 F30 P2
• SMILES: [B](/C=C(/[P+](CC[P+](C(=C\[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(c(F)c(F)c(F)c1F)F)c1c(c(c(c(c1F)F)F)F)F)\c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)(c1c(F)c(c(c(F)c1F)F)F)(c1c(c(F)c(F)c(c1F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl.C(Cl)Cl
• 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: 12.5795 ± 0.0007 Å
• b: 18.1504 ± 0.0009 Å
• c: 16.3457 ± 0.0009 Å
• α: 90°
• β: 99.017 ± 0.004°
• γ: 90°
• Cell volume: 3686 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No