Information card for entry 4131409

Structure parameters

• Formula: C106 H65 Al4 Cl F50 Fe2 O2
• Calculated formula: C106 H65 Al4 Cl F50 Fe2 O2
• SMILES: [Fe]12345678([c]9([c]1([c]2([c]4([c]69C)C)C)C)C)[c]1([c]3([c]8([c]7([c]51C)C)C)C)C.[Fe]12345678([c]9([c]1([c]2([c]7([c]39C)C)C)C)C)[c]1([c]4([c]5([c]8([c]61C)C)C)C)C.[Al]([O]1[Al]([O]([Al](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)[Al]1(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)(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.Clc1ccccc1
• 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: 14.168 ± 0.003 Å
• b: 39.796 ± 0.008 Å
• c: 18.693 ± 0.004 Å
• α: 90°
• β: 99.024 ± 0.014°
• γ: 90°
• Cell volume: 10409 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.2056
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No