Information card for entry 7030731

Structure parameters

• Formula: C42 H20 B Br F15 P
• Calculated formula: C42 H20 B Br F15 P
• SMILES: Brc1ccccc1.[P+](c1c(F)c(F)c([B](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of phosphines with electron deficient boranes
• Authors of publication: Welch, Gregory C.; Prieto, Roberto; Dureen, Meghan A.; Lough, Alan J.; Labeodan, Oijsamola A.; Höltrichter-Rössmann, Thorsten; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1559 - 1570
• a: 12.9407 ± 0.0016 Å
• b: 13.076 ± 0.0016 Å
• c: 13.2779 ± 0.0016 Å
• α: 68.326 ± 0.002°
• β: 65.31 ± 0.002°
• γ: 72.05 ± 0.002°
• Cell volume: 1865.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000573
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No