Information card for entry 4133811

Structure parameters

• Formula: C30.84 H37.31 Au B22 Br12 Cl0.47 F0.77 N2 S
• Calculated formula: C30.84 H37.304 Au B22 Br12 Cl0.464 F0.768 N2 S
• Title of publication: Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.
• Authors of publication: Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 9.0627 ± 0.0005 Å
• b: 17.182 ± 0.0009 Å
• c: 18.6821 ± 0.001 Å
• α: 87.768 ± 0.0009°
• β: 88.6994 ± 0.0008°
• γ: 75.7526 ± 0.0008°
• Cell volume: 2817.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No