Information card for entry 7132330

Structure parameters

• Formula: C104 H148 Mg2 N4 O6
• Calculated formula: C104 H148 Mg2 N4 O6
• Title of publication: Intramolecular C–N bond activation by a transient boryl anion
• Authors of publication: Nahon, Emily E.; Nelmes, Gareth Roland; Brothers, Penelope Jane; Hicks, Jamie
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 15.1811 ± 0.0001 Å
• b: 11.8175 ± 0.0001 Å
• c: 27.654 ± 0.0002 Å
• α: 90°
• β: 103.455 ± 0.001°
• γ: 90°
• Cell volume: 4825.03 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No