Information card for entry 7046276

Structure parameters

• Formula: C100 H168 B6 Mg2 N4 O12
• Calculated formula: C94 H154 B6 Mg2 N4 O12
• 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: 45.271 ± 0.003 Å
• b: 18.2367 ± 0.0007 Å
• c: 37.898 ± 0.002 Å
• α: 90°
• β: 122.981 ± 0.008°
• γ: 90°
• Cell volume: 26246 ± 3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No