Information card for entry 7706050

Structure parameters

• Formula: C52.5 H85 B2 Mg N3 O4
• Calculated formula: C52.5 H85 B2 Mg N3 O4
• 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: 11.6153 ± 0.0001 Å
• b: 23.5122 ± 0.0002 Å
• c: 19.4842 ± 0.0002 Å
• α: 90°
• β: 99.398 ± 0.001°
• γ: 90°
• Cell volume: 5249.74 ± 0.08 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: 0.0835
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No