Information card for entry 1571507

Structure parameters

• Formula: C55.5 H90 B3 Mg N3 O6
• Calculated formula: C55.5 H90 B3 Mg N3 O6
• Title of publication: The borylamino-diborata-allyl anion.
• Authors of publication: Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 7999 - 8007
• a: 11.5951 ± 0.0001 Å
• b: 19.7465 ± 0.0001 Å
• c: 24.9374 ± 0.0002 Å
• α: 90°
• β: 96.33 ± 0.001°
• γ: 90°
• Cell volume: 5674.92 ± 0.07 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: 0.043
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No