Information card for entry 4102940

Structure parameters

• Formula: C68 H110 B4 Li2 N4 O4
• Calculated formula: C68 H110 B4 Li2 N4 O4
• Title of publication: Boryltrihydroborate: Synthesis, Structure, and Reactivity as a Reductant in Ionic, Organometallic, and Radical Reactions
• Authors of publication: Kyoko Nozaki; Yoshitaka Aramaki; Makoto Yamashita; Shau-Hua Ueng; Max Malacria; Emmanuel Lacôte; Dennis P. Curran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11449 - 11451
• a: 12.813 ± 0.007 Å
• b: 19.418 ± 0.011 Å
• c: 13.857 ± 0.007 Å
• α: 90°
• β: 94.996 ± 0.002°
• γ: 90°
• Cell volume: 3435 ± 3 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No