Information card for entry 4088197

Structure parameters

• Formula: C73 H59 Al B F20 N2 O2 P
• Calculated formula: C73 H59 Al B F20 N2 O2 P
• SMILES: [Al]1(C)(N(C(=CC(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)OC(=O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 12.0112 ± 0.0003 Å
• b: 15.6917 ± 0.0004 Å
• c: 19.6252 ± 0.0005 Å
• α: 72.151 ± 0.003°
• β: 88.283 ± 0.002°
• γ: 86.427 ± 0.002°
• Cell volume: 3513.77 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No