Information card for entry 2023051

Structure parameters

• Chemical name: (<i>tert</i>-Butyldipropan-2-ylphosphane sulfide-κ<i>S</i>)trichloridogold(III)
• Formula: C10 H23 Au Cl3 P S
• Calculated formula: C10 H23 Au Cl3 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: 8.4533 ± 0.0002 Å
• b: 17.0563 ± 0.0004 Å
• c: 11.4826 ± 0.0003 Å
• α: 90°
• β: 94.525 ± 0.002°
• γ: 90°
• Cell volume: 1650.42 ± 0.07 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: 0.0247
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No