Information card for entry 2023270

Structure parameters

• Common name: Bis(tri-<i>tert</i>-butylphosphane selenide)gold(I) tetrabromidoaurate(III)
• Chemical name: Bis(tri-<i>tert</i>-butylphosphane selenide-κ<i>Se</i>)gold(I) tetrabromidoaurate(III)
• Formula: C24 H54 Au2 Br4 P2 Se2
• Calculated formula: C24 H54 Au2 Br4 P2 Se2
• 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: 8.4403 ± 0.0004 Å
• b: 9.2135 ± 0.0004 Å
• c: 12.6496 ± 0.0005 Å
• α: 106.172 ± 0.004°
• β: 101.1 ± 0.004°
• γ: 97.485 ± 0.004°
• Cell volume: 909.28 ± 0.08 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: 0.0284
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No