Information card for entry 7706053

Structure parameters

• Formula: C51 H67 B Mg N4 O2
• Calculated formula: C51 H67 B Mg N4 O2
• Title of publication: Reactivity of a magnesium diboranate with organic nitriles.
• Authors of publication: Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1283 - 1292
• a: 11.3884 ± 0.0001 Å
• b: 16.7959 ± 0.0001 Å
• c: 24.2385 ± 0.0002 Å
• α: 90°
• β: 95.336 ± 0.001°
• γ: 90°
• Cell volume: 4616.21 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No