Information card for entry 2022973

Structure parameters

• Chemical name: Bromido(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold
• Formula: C12 H27 Au Br P S
• Calculated formula: C12 H27 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: 8.3107 ± 0.0006 Å
• b: 13.482 ± 0.0005 Å
• c: 14.7591 ± 0.0009 Å
• α: 90°
• β: 90.424 ± 0.006°
• γ: 90°
• Cell volume: 1653.64 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes