Information card for entry 4131401

Structure parameters

• Formula: C28.92 H16.04 B Cl0.12 F15 Fe0.5 O0.5
• Calculated formula: C28.9215 H16.2965 B Cl0.125 F15 Fe0.5 O0.5
• Title of publication: Single Electron Delivery to Lewis Pairs: An Avenue to Anions by Small Molecule Activation.
• Authors of publication: Liu, Liu Leo; Cao, Levy L.; Shao, Yue; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 29
• Pages of publication: 10062 - 10071
• a: 10.481 ± 0.004 Å
• b: 11.448 ± 0.005 Å
• c: 24.317 ± 0.009 Å
• α: 92.704 ± 0.017°
• β: 101.94 ± 0.015°
• γ: 92.541 ± 0.018°
• Cell volume: 2847 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No