Information card for entry 4303534

Structure parameters

• Formula: C32.5 H13 B F15 N
• Calculated formula: C32.5 H13 B F15 N
• Title of publication: From Classical Adducts to Frustrated Lewis Pairs: Steric Effects in the Interactions of Pyridines and B(C6F5)3
• Authors of publication: Stephen J. Geier; Austin L. Gille; Thomas M. Gilbert; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10466 - 10474
• a: 9.0823 ± 0.0018 Å
• b: 15.684 ± 0.003 Å
• c: 20.242 ± 0.004 Å
• α: 90°
• β: 101.05 ± 0.03°
• γ: 90°
• Cell volume: 2830 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.091
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No