Information card for entry 4303766

Structure parameters

• Chemical name: [Li(C8H16O4)].[H2P{B(C6F5)3}2]
• Formula: C44 H18 B2 F30 Li O4 P
• Calculated formula: C44 H18 B2 F30 Li O4 P
• SMILES: [B]([PH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(c(c(c1F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[Li]123[O]4CC[O]1CC[O]2CC[O]3CC4
• 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: 12.465 ± 0.013 Å
• b: 14.37 ± 0.03 Å
• c: 14.461 ± 0.014 Å
• α: 62.1 ± 0.13°
• β: 84.68 ± 0.1°
• γ: 89.27 ± 0.1°
• Cell volume: 2278 ± 6 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: 0.1821
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No