Information card for entry 2023378

Structure parameters

• Chemical name: (Bromosulfanyl)di-<i>tert</i>-butylisopropylphosphanium di-μ-bromido-bis[dibromidopalladium(II)]
• Formula: C22 H50 Br8 P2 Pd2 S2
• Calculated formula: C22 H50 Br8 P2 Pd2 S2
• Title of publication: Crystal structures of six complexes of phosphane chalcogenides <i>R</i> ¹ <i>R</i> ² <i>R</i> ³P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> ₂ (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( ^<i>t</i> Bu₂ ⁱPrP<i>E</i>Br)₂[Pd₂Br₆] and one hydrolysis product.
• Authors of publication: Upmann, Daniel; Jones, Peter G.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 183 - 194
• a: 7.8691 ± 0.0004 Å
• b: 22.7255 ± 0.0008 Å
• c: 10.5879 ± 0.0003 Å
• α: 90°
• β: 98.386 ± 0.003°
• γ: 90°
• Cell volume: 1873.18 ± 0.13 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: 0.0622
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No