Information card for entry 2023097

Structure parameters

• Chemical name: Bis(<i>tert</i>-butyl)(chlorosulfanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)
• Formula: C11 H25 Au Cl5 P S
• Calculated formula: C11 H25 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: 33.653 ± 0.003 Å
• b: 7.7933 ± 0.0003 Å
• c: 16.212 ± 0.002 Å
• α: 90°
• β: 113.861 ± 0.008°
• γ: 90°
• Cell volume: 3888.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No