Information card for entry 4088196

Structure parameters

• Formula: C62 H50 Al B F20 N2
• Calculated formula: C62 H50 Al B F20 N2
• SMILES: [Al]12([N](c3c(cccc3C(C)C)C(C)C)=C(C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C(=C2)c1ccccc1)C)C.Fc1c(c(F)c(F)c(F)c1F)[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
• Title of publication: A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine
• Authors of publication: Stennett, Tom E.; Pahl, Jürgen; Zijlstra, Harmen S.; Seidel, Falk W.; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 207
• a: 11.4727 ± 0.0004 Å
• b: 16.3099 ± 0.0004 Å
• c: 16.4907 ± 0.0005 Å
• α: 93.934 ± 0.002°
• β: 107.911 ± 0.003°
• γ: 91.817 ± 0.002°
• Cell volume: 2924.71 ± 0.16 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 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: 0.041
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No