Information card for entry 1560029

Structure parameters

• Formula: C35 H34 Au B Cl F4 N2 P
• Calculated formula: C35 H34 Au B Cl F4 N2 P
• SMILES: [Au](Cl)[P](c1c(cccc1)[C+](c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
• Authors of publication: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3929 - 3936
• a: 20.6017 ± 0.0008 Å
• b: 8.5026 ± 0.0003 Å
• c: 20.569 ± 0.0007 Å
• α: 90°
• β: 118.012 ± 0.001°
• γ: 90°
• Cell volume: 3180.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.02 K
• Number of distinct elements: 8
• 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: 0.0287
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No