Information card for entry 4088198

Structure parameters

• Formula: C66 H64.95 Al B Br0.05 F20 N2 O P
• Calculated formula: C66 H64.95 Al B Br0.05 F20 N2 O P
• 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: 12.88268 ± 0.00018 Å
• b: 15.0778 ± 0.0003 Å
• c: 33.4651 ± 0.0005 Å
• α: 90°
• β: 99.3265 ± 0.0015°
• γ: 90°
• Cell volume: 6414.41 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No