Information card for entry 4088201

Structure parameters

• Formula: C72 H59 Al B F20 N2 P
• Calculated formula: C72 H59 Al B F20 N2 P
• SMILES: [P]([Al]1([N](=C(C=C(N1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.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: 12.6665 ± 0.0003 Å
• b: 14.7992 ± 0.0004 Å
• c: 18.493 ± 0.0005 Å
• α: 76.039 ± 0.002°
• β: 78.861 ± 0.002°
• γ: 89.216 ± 0.002°
• Cell volume: 3298.83 ± 0.15 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: 0.039
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No