Information card for entry 7031996

Structure parameters

• Formula: C32 H22 B F15 N P
• Calculated formula: C32 H22 B F15 N P
• SMILES: P([C@@H](C[B@@](/C=C/C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)[n]1ccccc1)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.P([C@H](C[B@](/C=C/C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)[n]1ccccc1)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Formation, structural characterization, and reactions of a unique cyclotrimeric vicinal Lewis pair containing (C6F5)2P-Lewis base and (C6F5)BH-Lewis acid components.
• Authors of publication: Erdmann, Markus; Wiegand, Thomas; Blumenberg, Jonas; Eckert, Hellmut; Ren, Jinjun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15159 - 15169
• a: 9.5845 ± 0.0002 Å
• b: 11.8194 ± 0.0004 Å
• c: 15.2277 ± 0.0004 Å
• α: 105.663 ± 0.002°
• β: 102.191 ± 0.002°
• γ: 90.409 ± 0.001°
• Cell volume: 1619.75 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No