Information card for entry 1559821

Structure parameters

• Formula: C71 H56 B F23 Mg N2
• Calculated formula: C71 H56 B F23 Mg N2
• Title of publication: Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.
• Authors of publication: Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2410 - 2418
• a: 12.2177 ± 0.0003 Å
• b: 15.9583 ± 0.0005 Å
• c: 17.8965 ± 0.0005 Å
• α: 102.494 ± 0.003°
• β: 106.268 ± 0.002°
• γ: 96.734 ± 0.002°
• Cell volume: 3210.89 ± 0.17 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No