Information card for entry 2204794

Structure parameters

• Chemical name: Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)cadmium(II)
• Formula: C22 H40 Cd N2 S10
• Calculated formula: C22 H40 Cd N2 S10
• SMILES: C1(=S)SC2S[Cd]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)cadmium(II)
• Authors of publication: Li, Ting Bin; Yu, Wen Tao; Xu, Dong; Wang, Xin Qiang; Zhang, Guang Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1886 - m1888
• a: 9.9739 ± 0.0014 Å
• b: 20.116 ± 0.002 Å
• c: 17.033 ± 0.004 Å
• α: 90°
• β: 90.86 ± 0.016°
• γ: 90°
• Cell volume: 3417 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No