Information card for entry 2023108

Structure parameters

• Chemical name: (Bromoselanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)
• Formula: C11 H25 Au Br5 P Se
• Calculated formula: C11 H25 Au Br5 P Se
• 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: 12.3529 ± 0.0004 Å
• b: 10.4233 ± 0.0004 Å
• c: 16.4635 ± 0.0005 Å
• α: 90°
• β: 93.453 ± 0.003°
• γ: 90°
• Cell volume: 2115.96 ± 0.12 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No