Information card for entry 7046272

Structure parameters

• Formula: C70 H108 B2 Mg2 N4 O4
• Calculated formula: C70 H108 B2 Mg2 N4 O4
• Title of publication: Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium
• Authors of publication: Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 22.6369 ± 0.0003 Å
• b: 12.3776 ± 0.0002 Å
• c: 25.1115 ± 0.0003 Å
• α: 90°
• β: 104.841 ± 0.001°
• γ: 90°
• Cell volume: 6801.28 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No