Information card for entry 7031994

Structure parameters

• Formula: C63 H21 B3 F45 P3
• Calculated formula: C63 H21 B3 F45 P3
• SMILES: [B@H]1(C[C@H](C)[P](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)[B@@H](C[C@H](C)[P]([B@@H](C[C@H](C)[P]1(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[B@@H]1(C[C@@H](C)[P](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)[B@H](C[C@@H](C)[P]([B@H](C[C@@H](C)[P]1(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 25.036 ± 0.0004 Å
• b: 25.036 ± 0.0004 Å
• c: 35.764 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19413.6 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No