Information card for entry 2209531

Structure parameters

• Chemical name: (2-thiolidinethionato)(triphenylphosphine)gold(I)
• Formula: C21 H19 Au N P S2
• Calculated formula: C21 H19 Au N P S2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)SC1SCCN=1
• Title of publication: A second polymorph of (2-thiazolidinethionato)(triphenylphosphine)gold(I)
• Authors of publication: Ulrike E. I. Horvath; Stephanie Cronje; Stefan D. Nogai; Helgard G. Raubenheimer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1641 - m1643
• a: 8.8944 ± 0.0013 Å
• b: 10.6804 ± 0.0016 Å
• c: 11.4533 ± 0.0017 Å
• α: 86.763 ± 0.003°
• β: 87.498 ± 0.002°
• γ: 66.828 ± 0.003°
• Cell volume: 998.4 ± 0.3 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: 0.0389
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes