Information card for entry 2023105

Structure parameters

• Chemical name: (Bromosulfanyl)tris(<i>tert</i>-butyl)phosphonium tetrabromidoaurate(III)
• Formula: C12 H27 Au Br5 P S
• Calculated formula: C12 H27 Au Br5 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: 10.2218 ± 0.0005 Å
• b: 10.8085 ± 0.0006 Å
• c: 11.1163 ± 0.0005 Å
• α: 70.909 ± 0.004°
• β: 71.516 ± 0.005°
• γ: 75.645 ± 0.004°
• Cell volume: 1086.39 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0486
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No