Information card for entry 4131412

Structure parameters

• Formula: C77 H62 B2 Cl2 F30 Fe2 S7
• Calculated formula: C77 H62 B2 Cl2 F30 Fe2 S7
• SMILES: [Fe]12345678([c]9([c]1([c]5([c]4([c]39C)C)C)C)C)[c]1([c]8([c]7([c]2([c]61C)C)C)C)C.[Fe]12345678([c]9([c]7([c]1([c]3([c]59C)C)C)C)C)[c]1([c]4([c]2([c]8([c]61C)C)C)C)C.S(SSSSSS[B](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)[B](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.ClCCl
• 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: 9.41 ± 0.002 Å
• b: 20.391 ± 0.005 Å
• c: 21.371 ± 0.005 Å
• α: 95.423 ± 0.006°
• β: 95.582 ± 0.006°
• γ: 97.223 ± 0.006°
• Cell volume: 4025.1 ± 1.6 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: 0.198
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No