Information card for entry 2023374

Structure parameters

• Chemical name: Dibromido(di-<i>tert</i>-butylisopropylphosphine selenide-κ<i>Se</i>)palladium(II)
• Formula: C22 H50 Br2 P2 Pd Se2
• Calculated formula: C22 H50 Br2 P2 Pd Se2
• SMILES: [Pd](Br)(Br)([Se]=P(C(C)(C)C)(C(C)(C)C)C(C)C)[Se]=P(C(C)(C)C)(C(C)C)C(C)(C)C
• 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: 15.3561 ± 0.0006 Å
• b: 13.4695 ± 0.0004 Å
• c: 16.1371 ± 0.0006 Å
• α: 90°
• β: 116.558 ± 0.005°
• γ: 90°
• Cell volume: 2985.6 ± 0.2 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: 0.0577
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No