Information card for entry 7030729

Structure parameters

• Formula: C31 H21 B F15 P
• Calculated formula: C31 H21 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)(C(C)(C)C)c1c(cc(cc1C)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: 11.819 ± 0.005 Å
• b: 12.003 ± 0.006 Å
• c: 14.694 ± 0.007 Å
• α: 66.442 ± 0.005°
• β: 69.594 ± 0.005°
• γ: 74.705 ± 0.006°
• Cell volume: 1772 ± 1.4 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: 0.0863
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000571
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No