Information card for entry 2215401

Structure parameters

• Chemical name: Triphenyl-n-propylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)
• Formula: C27 H22 Au P S10
• Calculated formula: C27 H22 Au P S10
• SMILES: [Au]12(SC3=C(S2)SC(=S)S3)SC2=C(SC(=S)S2)S1.c1ccccc1[P+](c1ccccc1)(c1ccccc1)CCC
• Title of publication: Triphenyl-<i>n</i>-propylphosphonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)aurate(III)
• Authors of publication: Wang, Xin Qiang; Fan, Jian Dong; Xu, Dong; Yu, Wen Tao; Sun, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2529 - m2530
• a: 8.4916 ± 0.0001 Å
• b: 25.8266 ± 0.0003 Å
• c: 14.9202 ± 0.0002 Å
• α: 90°
• β: 97.979 ± 0.001°
• γ: 90°
• Cell volume: 3240.46 ± 0.07 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: 0.0361
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes