Information card for entry 7019707

Structure parameters

• Formula: C31 H27 Al F15 O2 P
• Calculated formula: C31 H27 Al F15 O2 P
• SMILES: [Al](OC(=O)[P+](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Exchange chemistry of tBu(3)P(CO(2))B(C(6)F(5))(2)Cl.
• Authors of publication: Neu, Rebecca C.; Ménard, Gabriel; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9016 - 9018
• a: 18.2162 ± 0.0008 Å
• b: 15.2634 ± 0.0007 Å
• c: 24.7764 ± 0.0011 Å
• α: 90°
• β: 108.346 ± 0.002°
• γ: 90°
• Cell volume: 6538.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No