Information card for entry 7030732

Structure parameters

• Formula: C36 H12 B F18 P
• Calculated formula: C36 H12 B F18 P
• SMILES: [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)(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
• 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: 12.9545 ± 0.0015 Å
• b: 13.237 ± 0.0016 Å
• c: 13.5614 ± 0.0016 Å
• α: 66.727 ± 0.002°
• β: 63.913 ± 0.001°
• γ: 72.99 ± 0.002°
• Cell volume: 1898.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000574
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No