Information card for entry 4303540

Structure parameters

• Formula: C25 H11 B F15 N
• Calculated formula: C25 H11 B F15 N
• SMILES: Fc1c(F)c(F)c(F)c(F)c1[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(c1F)F.[nH+]1c(cccc1C)C
• 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: 17.8525 ± 0.0012 Å
• b: 9.8407 ± 0.0007 Å
• c: 15.2683 ± 0.001 Å
• α: 90°
• β: 115.01 ± 0.003°
• γ: 90°
• Cell volume: 2430.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No