Information card for entry 2023103

Structure parameters

• Chemical name: (Bromosulfanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)
• Formula: C10 H23 Au Br5 P S
• Calculated formula: C10 H23 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: 7.8455 ± 0.0006 Å
• b: 9.138 ± 0.0006 Å
• c: 15.544 ± 0.0009 Å
• α: 86.6 ± 0.005°
• β: 81.097 ± 0.006°
• γ: 64.862 ± 0.006°
• Cell volume: 996.66 ± 0.13 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: 0.0339
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No