Information card for entry 4088200

Structure parameters

• Formula: C85 H89 Al2 B F20 N4 O2
• Calculated formula: C85 H89 Al2 B F20 N4 O2
• SMILES: [Al]1([O]=CO[Al]2([N](c3c(C(C)C)cccc3C(C)C)=C(C=C(N2c2c(C(C)C)cccc2C(C)C)C)C)C)(N(c2c(C(C)C)cccc2C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)C.Fc1c(F)c(F)c(F)c(F)c1[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: 14.6101 ± 0.0002 Å
• b: 16.7664 ± 0.0003 Å
• c: 18.2804 ± 0.0004 Å
• α: 91.2573 ± 0.0015°
• β: 104.864 ± 0.0016°
• γ: 105.681 ± 0.0016°
• Cell volume: 4146.91 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No