Information card for entry 7715320

Structure parameters

• Formula: C39 H63 B F12 P4 Si6
• Calculated formula: C39 H63 B F12 P4 Si6
• SMILES: [P]([B](c1c(F)c(F)c(P([Si](C)(C)C)[Si](C)(C)C)c(F)c1F)(c1c(F)c(F)c(P([Si](C)(C)C)[Si](C)(C)C)c(F)c1F)c1c(F)c(F)c(P([Si](C)(C)C)[Si](C)(C)C)c(F)c1F)(C)(C)C
• Title of publication: Triple <i>para</i>-substitution reactions of B(C₆F₅)₃ and [(C₆F₅)₃PF]⁺ with P(SiMe₃)₃.
• Authors of publication: Thomson, Jordan; Michailovich, Sofia; Miao, Linkun; Farrell, Jeffrey M.; Murray, Jillian A.; Lough, Alan; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5775 - 5778
• a: 14.6989 ± 0.0009 Å
• b: 23.5345 ± 0.0017 Å
• c: 8.3881 ± 0.0005 Å
• α: 90°
• β: 111.988 ± 0.003°
• γ: 90°
• Cell volume: 2690.6 ± 0.3 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No