Information card for entry 7021493

Structure parameters

• Formula: C10 H23 Au Cl3 P Se
• Calculated formula: C10 H23 Au Cl3 P Se
• SMILES: [Au](Cl)(Cl)(Cl)[Se]=P(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: 7.9388 ± 0.0002 Å
• b: 14.5821 ± 0.0003 Å
• c: 14.3875 ± 0.0004 Å
• α: 90°
• β: 91.285 ± 0.003°
• γ: 90°
• Cell volume: 1665.14 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No