Information card for entry 2023102

Structure parameters

• Chemical name: (Bromosulfanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)
• Formula: C9 H21 Au Br5 P S
• Calculated formula: C9 H21 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: 7.8543 ± 0.0004 Å
• b: 8.0592 ± 0.0004 Å
• c: 15.3505 ± 0.0007 Å
• α: 76.717 ± 0.004°
• β: 83.169 ± 0.004°
• γ: 87.722 ± 0.004°
• Cell volume: 938.89 ± 0.08 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: 0.0267
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No