Information card for entry 4131413

Structure parameters

• Formula: C44 H30 Al F20 Fe
• Calculated formula: C44 H30 Al F20 Fe
• SMILES: [Fe]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]8([c]71C)C)C)C)C.[Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 10.719 ± 0.005 Å
• b: 13.037 ± 0.006 Å
• c: 15.005 ± 0.006 Å
• α: 84.987 ± 0.013°
• β: 88.873 ± 0.012°
• γ: 82.307 ± 0.014°
• Cell volume: 2070 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No