Information card for entry 2016410

Structure parameters

• Chemical name: Tetraphenylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III) acetone solvate
• Formula: C33 H26 Au O P S10
• Calculated formula: C33 H26 Au O P S10
• SMILES: C1(=S)SC2=C(S1)S[Au]1(S2)SC2=C(S1)SC(=S)S2.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• 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: 24.4198 ± 0.0007 Å
• b: 7.4511 ± 0.0002 Å
• c: 23.1654 ± 0.0006 Å
• α: 90°
• β: 115.772 ± 0.001°
• γ: 90°
• Cell volume: 3795.78 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes