Information card for entry 2023095

Structure parameters

• Chemical name: (Chlorosulfanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)
• Formula: C9 H21 Au Cl5 P S
• Calculated formula: C9 H21 Au Cl5 P S
• SMILES: [P+](SCl)(C(C)C)(C(C)C)C(C)C.[Au](Cl)(Cl)(Cl)[Cl-]
• 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: 13.3577 ± 0.0005 Å
• b: 10.0877 ± 0.0003 Å
• c: 13.9182 ± 0.0005 Å
• α: 90°
• β: 106.29 ± 0.004°
• γ: 90°
• Cell volume: 1800.16 ± 0.11 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: 0.0512
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No