Information card for entry 7127543

Structure parameters

• Formula: C28 H36 Au Cl6 F6 N
• Calculated formula: C28 H36 Au Cl6 F6 N
• SMILES: [Au](Cl)(Cl)(c1c(F)c(Cl)c(F)c(Cl)c1F)c1c(F)c(Cl)c(F)c(Cl)c1F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.
• Authors of publication: Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 125 - 128
• a: 9.7193 ± 0.0006 Å
• b: 12.2962 ± 0.0007 Å
• c: 15.3889 ± 0.0009 Å
• α: 100.005 ± 0.005°
• β: 97.584 ± 0.005°
• γ: 99.628 ± 0.005°
• Cell volume: 1760.92 ± 0.19 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No