Information card for entry 2023098

Structure parameters

• Chemical name: Tris(<i>tert</i>-butyl)(chlorosulfanyl)phosphonium tetrachloridoaurate(III)
• Formula: C12 H27 Au Cl5 P S
• Calculated formula: C12 H27 Au Cl5 P S
• Title of publication: Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)
• Authors of publication: Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 9.7661 ± 0.0003 Å
• b: 12.5787 ± 0.0003 Å
• c: 16.9776 ± 0.0005 Å
• α: 90°
• β: 103.887 ± 0.003°
• γ: 90°
• Cell volume: 2024.65 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No