Information card for entry 7131201

Structure parameters

• Formula: C28 H36 Au Br2 Cl4 F6 N
• Calculated formula: C28 H36 Au Br2 Cl4 F6 N
• SMILES: [Au](Br)(Br)(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: Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.
• Authors of publication: Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 14
• Pages of publication: 1975 - 1978
• a: 12.68 ± 0.0006 Å
• b: 13.0574 ± 0.0008 Å
• c: 13.465 ± 0.0009 Å
• α: 61.032 ± 0.007°
• β: 67.105 ± 0.005°
• γ: 78.673 ± 0.005°
• Cell volume: 1796.7 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0769
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No