Information card for entry 2207363

Structure parameters

• Chemical name: Bis(N-methylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate(II)
• Formula: C18 H16 N2 S10 Zn
• Calculated formula: C18 H16 N2 S10 Zn
• SMILES: C1(=S)SC2S[Zn]3(SC=2S1)SC1=C(S3)SC(=S)S1.C[n+]1ccccc1.C[n+]1ccccc1
• Title of publication: Bis(<i>N</i>-methylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate(II)
• Authors of publication: Wang, Yan-Ling; Yu, Wen-Tao; Xu, Dong; Wang, Xin-Qiang; Guo, Wen-Feng; Zhang, Guang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2408 - m2410
• a: 14.1687 ± 0.0019 Å
• b: 13.6246 ± 0.0016 Å
• c: 14.024 ± 0.002 Å
• α: 90°
• β: 106.865 ± 0.011°
• γ: 90°
• Cell volume: 2590.8 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes