Information card for entry 2023268

Structure parameters

• Common name: Bis(<i>tert</i>-butyldiisopropylphosphane selenide)gold(I) tetrabromidoaurate(III)
• Chemical name: Bis[<i>tert</i>-butylbis(propan-2-yl)-λ^5^-phosphaneselanone-κ<i>Se</i>]gold(I) tetrabromidoaurate(III)
• Formula: C20 H46 Au2 Br4 P2 Se2
• Calculated formula: C20 H46 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: 13.7265 ± 0.0003 Å
• b: 10.5615 ± 0.0003 Å
• c: 22.7782 ± 0.0005 Å
• α: 90°
• β: 94.096 ± 0.002°
• γ: 90°
• Cell volume: 3293.78 ± 0.14 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: 0.0516
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No