Information card for entry 2212419

Structure parameters

• Chemical name: Bis(N-methylpyridinium) bis(2-thioxo-1,3-dithione-4,5-dithiolato)cadmium(II)
• Formula: C18 H16 Cd N2 S10
• Calculated formula: C18 H16 Cd N2 S10
• SMILES: [n+]1(C)ccccc1.[n+]1(C)ccccc1.C1(=S)SC2S[Cd]3(SC=2S1)SC1=C(S3)SC(=S)S1
• Title of publication: Bis(<i>N</i>-methylpyridinium) bis(2-thioxo-1,3-dithione-4,5-dithiolato)cadmate(II)
• Authors of publication: Wang, Yan-Ling; Wang, Yong-Jin; Wang, Rui-He; Yao, Jun; Zhao, Xiu-Tai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m342 - m343
• a: 14.4624 ± 0.0012 Å
• b: 13.597 ± 0.0011 Å
• c: 14.188 ± 0.0011 Å
• α: 90°
• β: 109.369 ± 0.001°
• γ: 90°
• Cell volume: 2632.1 ± 0.4 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: 0.055
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes