Information card for entry 4081727

Structure parameters

• Formula: C33 H33 B F15 P
• Calculated formula: C33 H33 B F15 P
• SMILES: [P+](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)C)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs
• Authors of publication: Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6759
• a: 9.6037 ± 0.0015 Å
• b: 11.2601 ± 0.0018 Å
• c: 15.519 ± 0.003 Å
• α: 100.501 ± 0.002°
• β: 91.834 ± 0.002°
• γ: 95.109 ± 0.002°
• Cell volume: 1641.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No