Information card for entry 7045950

Structure parameters

• Formula: C12 H16 B2 O4
• Calculated formula: C12 H16 B2 O4
• Title of publication: Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.
• Authors of publication: Oschmann, W.; Borner, C.; Kleeberg, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5318 - 5327
• a: 11.1422 ± 0.001 Å
• b: 10.58 ± 0.0006 Å
• c: 11.5298 ± 0.001 Å
• α: 90°
• β: 106.766 ± 0.009°
• γ: 90°
• Cell volume: 1301.41 ± 0.19 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No