Information card for entry 1560030

Structure parameters

• Formula: C36 H32 Au B2 Cl2 F8 O P S
• Calculated formula: C36 H32 Au B2 Cl2 F8 O P S
• SMILES: [Au]([S]1CCCC1)[P](c1c(cccc1)[C+]1c2c(Oc3c1cccc3)cccc2)(c1ccccc1)c1ccccc1.ClCCl.[B](F)(F)(F)[F-].[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: 8.0106 ± 0.0007 Å
• b: 12.2124 ± 0.0012 Å
• c: 19.0728 ± 0.0018 Å
• α: 99.359 ± 0.003°
• β: 93.578 ± 0.003°
• γ: 101.894 ± 0.003°
• Cell volume: 1792.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 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: 0.0489
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No