Information card for entry 4131400

Structure parameters

• Formula: C62 H35 Al2 F30 Fe Te
• Calculated formula: C62 H35 Al2 F30 Fe Te
• SMILES: [Te]([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)([Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(F)c(F)c(c1F)F)F)c1ccccc1.[Fe]12345678([c]9([c]1([c]2([c]3([c]69C)C)C)C)C)[c]1([c]5([c]4([c]7([c]81C)C)C)C)C
• 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: 10.504 ± 0.002 Å
• b: 23.922 ± 0.005 Å
• c: 24.325 ± 0.005 Å
• α: 90°
• β: 92.238 ± 0.008°
• γ: 90°
• Cell volume: 6108 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1386
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No