Information card for entry 7021490

Structure parameters

• Formula: C11 H25 Au Cl3 P S
• Calculated formula: C11 H25 Au Cl3 P S
• SMILES: [Au](Cl)(Cl)(Cl)[S]=P(C(C)(C)C)(C(C)(C)C)C(C)C
• Title of publication: Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.
• Authors of publication: Upmann, Daniel; Jones, Peter G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7526 - 7528
• a: 8.6034 ± 0.0004 Å
• b: 9.7779 ± 0.0004 Å
• c: 11.4231 ± 0.0004 Å
• α: 78.876 ± 0.003°
• β: 71.456 ± 0.004°
• γ: 72.702 ± 0.004°
• Cell volume: 864.7 ± 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: 0.0175
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No