Information card for entry 4106452

Structure parameters

• Formula: C71 H118 B2 Li2 O2
• Calculated formula: C71 H118 B2 Li2 O2
• Title of publication: Boron-Boron σ-Bond Formation by Two-Electron Reduction of a H-Bridged Dimer of Monoborane
• Authors of publication: Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Matthias J. Gutmann; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11058 - 11061
• a: 10.6829 ± 0.0017 Å
• b: 12.2765 ± 0.0017 Å
• c: 13.262 ± 0.002 Å
• α: 71.844 ± 0.005°
• β: 89.526 ± 0.007°
• γ: 76.509 ± 0.005°
• Cell volume: 1603.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No