Information card for entry 2023055

Structure parameters

• Chemical name: Trichlorido(tri-<i>tert</i>-butylphosphane sulfide-κ<i>S</i>)gold(III) dichloromethane monosolvate
• Formula: C13 H29 Au Cl5 P S
• Calculated formula: C13 H29 Au Cl5 P S
• SMILES: [Au]([S]=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)(Cl)(Cl)Cl.C(Cl)Cl
• Title of publication: Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.
• 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: Pt 4
• Pages of publication: 355 - 369
• a: 8.4202 ± 0.0003 Å
• b: 11.2194 ± 0.0004 Å
• c: 11.8355 ± 0.0004 Å
• α: 98.398 ± 0.003°
• β: 101.174 ± 0.003°
• γ: 95.991 ± 0.003°
• Cell volume: 1074.95 ± 0.07 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: 0.0245
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No