Information card for entry 2022972

Structure parameters

• Chemical name: [Bis(<i>tert</i>-butyl)(propan-2-yl)tripropylphosphane sulfide-κ<i>S</i>]bromidogold
• Formula: C11 H25 Au Br P S
• Calculated formula: C11 H25 Au Br P S
• Title of publication: Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.
• Authors of publication: Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 34 - 49
• a: 27.3157 ± 0.001 Å
• b: 8.16931 ± 0.00013 Å
• c: 18.8362 ± 0.0007 Å
• α: 90°
• β: 132.187 ± 0.007°
• γ: 90°
• Cell volume: 3114.5 ± 0.4 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes