Information card for entry 2023050

Structure parameters

• Chemical name: Trichlorido(tripropan-2-ylphosphane sulfide-κ<i>S</i>)gold(III)
• Formula: C9 H21 Au Cl3 P S
• Calculated formula: C9 H21 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: 8.0262 ± 0.0003 Å
• b: 9.0839 ± 0.0003 Å
• c: 10.7162 ± 0.0003 Å
• α: 86.185 ± 0.002°
• β: 85.73 ± 0.003°
• γ: 84.468 ± 0.003°
• Cell volume: 774.12 ± 0.04 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: 0.017
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No