Information card for entry 2016411

Structure parameters

• Chemical name: ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)
• Formula: C26 H20 Au P S10
• Calculated formula: C26 H20 Au P S10
• SMILES: [Au]12(SC3=C(S2)SC(=S)S3)SC2=C(SC(=S)S2)S1.c1ccccc1[P+](c1ccccc1)(c1ccccc1)CC
• Title of publication: Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate and ethyltriphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)
• Authors of publication: Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Fan, Jian-Dong; Zhang, Guang-Hui; Ren, Quan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m46 - m49
• a: 17.3058 ± 0.0002 Å
• b: 9.9306 ± 0.0001 Å
• c: 19.0668 ± 0.0002 Å
• α: 90°
• β: 103.959 ± 0.001°
• γ: 90°
• Cell volume: 3180 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes