Information card for entry 7000570

Structure parameters

• Formula: C28 H15 B F15 P
• Calculated formula: C28 H15 B F15 P
• SMILES: [PH+](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)C(C)(C)C
• 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: 23.155 ± 0.005 Å
• b: 10.399 ± 0.002 Å
• c: 23.014 ± 0.005 Å
• α: 90°
• β: 93.67 ± 0.03°
• γ: 90°
• Cell volume: 5530 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No