Information card for entry 4303532

Structure parameters

• Formula: C24.5 H7.5 B Cl1.5 F15 N
• Calculated formula: C24.5 H7.5 B Cl1.5 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: 9.294 ± 0.0008 Å
• b: 14.3404 ± 0.0014 Å
• c: 18.4081 ± 0.0018 Å
• α: 90°
• β: 98.874 ± 0.004°
• γ: 90°
• Cell volume: 2424.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1103
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No