Information card for entry 2209532

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](SC1SCCN=1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A third polymorph of (2-thiazolidinethionato)(triphenylphosphine)gold(I)
• Authors of publication: Ulrike E. I. Horvath; Helgard G. Raubenheimer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1644 - m1645
• a: 8.2258 ± 0.0011 Å
• b: 11.0179 ± 0.0015 Å
• c: 12.1641 ± 0.0017 Å
• α: 71.411 ± 0.002°
• β: 75.984 ± 0.002°
• γ: 68.848 ± 0.002°
• Cell volume: 964.4 ± 0.2 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: 0.0475
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes