Information card for entry 2205491

Structure parameters

• Chemical name: Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)copper(II)
• Formula: C22 H40 Cu N2 S10
• Calculated formula: C22 H40 Cu N2 S10
• SMILES: C1(=S)SC2S[Cu]3(SC=2S1)SC1=C(S3)SC(=S)S1.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC
• Title of publication: Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cuprate(II)
• Authors of publication: Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Zhang, Guang-Hui; Sun, Xiang-Bin; Ren, Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m717 - m719
• a: 26.88 ± 0.004 Å
• b: 8.009 ± 0.0011 Å
• c: 18.294 ± 0.003 Å
• α: 90°
• β: 123.836 ± 0.008°
• γ: 90°
• Cell volume: 3271.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes