Information card for entry 7045948

Structure parameters

• Formula: C11.18 H22.37 B2 O4
• Calculated formula: C11.1785 H22.357 B1.9995 O3.999
• 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: 20.1037 ± 0.0012 Å
• b: 11.888 ± 0.0006 Å
• c: 11.724 ± 0.0007 Å
• α: 90°
• β: 93.134 ± 0.006°
• γ: 90°
• Cell volume: 2797.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No