Information card for entry 2023265

Structure parameters

• Formula: C20 H46 Au2 Cl4 P2 S2
• Calculated formula: C20 H46 Au2 Cl4 P2 S2
• Title of publication: Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)
• 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: 10
• Pages of publication: 1087 - 1096
• a: 11.7607 ± 0.0003 Å
• b: 16.4174 ± 0.0004 Å
• c: 17.2173 ± 0.0004 Å
• α: 79.931 ± 0.002°
• β: 76.467 ± 0.002°
• γ: 78.015 ± 0.002°
• Cell volume: 3133.59 ± 0.14 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: 0.0488
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No