Information card for entry 7121925

Structure parameters

• Formula: C84 H104 B2 Br2 F10 Li2 N4 O10
• Calculated formula: C84 H104 B2 Br2 F10 Li2 N4 O10
• Title of publication: Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.
• Authors of publication: Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 65
• Pages of publication: 9015 - 9018
• a: 10.2637 ± 0.001 Å
• b: 24.161 ± 0.003 Å
• c: 16.6779 ± 0.0017 Å
• α: 90°
• β: 97.972 ± 0.004°
• γ: 90°
• Cell volume: 4095.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No