Information card for entry 7706051

Structure parameters

• Formula: C76 H102 B Mg N6 O2
• Calculated formula: C70 H88 B Mg N6 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: 11.9955 ± 0.0003 Å
• b: 14.4571 ± 0.0002 Å
• c: 20.6837 ± 0.0004 Å
• α: 82.187 ± 0.002°
• β: 86.3 ± 0.002°
• γ: 82.39 ± 0.002°
• Cell volume: 3518.42 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No