Information card for entry 4130329

Structure parameters

• Formula: C56 H84 B2 K2 O4
• Calculated formula: C56 H84 B2 K2 O4
• Title of publication: Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).
• Authors of publication: Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 19
• Pages of publication: 6224 - 6233
• a: 13.834 ± 0.0011 Å
• b: 19.2446 ± 0.0012 Å
• c: 21.4964 ± 0.0017 Å
• α: 90°
• β: 103.878 ± 0.006°
• γ: 90°
• Cell volume: 5555.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No