Information card for entry 4303767

Structure parameters

• Common name: [Li{O(CH2CH3)2}3][{H3B}P(C6H5)2{B(C6F5)3}]
• Formula: C42 H43 B2 F15 Li O3 P
• Calculated formula: C42 H43 B2 F15 Li O3 P
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)[P]([BH]1[H][Li]([H]1)([O](CC)CC)([O](CC)CC)[O](CC)CC)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, and Stability of Adducts between Phosphide and Amide Anions and the Lewis Acids Borane, Tris(pentafluorophenyl)borane, and Tris(pentafluorophenyl)alane
• Authors of publication: Anna-Marie Fuller; Andrew J. Mountford; Matthew L. Scott; Simon J. Coles; Peter N. Horton; David L. Hughes; Michael B. Hursthouse; Simon J. Lancaster
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11474 - 11482
• a: 12.9559 ± 0.0009 Å
• b: 13.0944 ± 0.0007 Å
• c: 14.6714 ± 0.0006 Å
• α: 79.742 ± 0.004°
• β: 80.895 ± 0.005°
• γ: 61.807 ± 0.004°
• Cell volume: 2150.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No