Information card for entry 2023060

Structure parameters

• Chemical name: Tribromido[di-<i>tert</i>-butyl(propan-2-yl)phosphane sulfide-κ<i>S</i>]gold(III)
• Formula: C11 H25 Au Br3 P S
• Calculated formula: C11 H25 Au Br3 P S
• Title of publication: Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.
• 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: Pt 4
• Pages of publication: 355 - 369
• a: 8.6067 ± 0.0008 Å
• b: 10.1161 ± 0.0012 Å
• c: 11.5123 ± 0.0012 Å
• α: 77.873 ± 0.01°
• β: 70.257 ± 0.01°
• γ: 71.867 ± 0.01°
• Cell volume: 890.37 ± 0.18 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: 0.0192
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No