Information card for entry 2232981

Structure parameters

• Chemical name: Bis{3-[2-(methylsulfonyl)pyrimidin-4-yl]pyridinium} tetrachloridocadmium
• Formula: C20 H20 Cd Cl4 N6 O4 S2
• Calculated formula: C20 H20 Cd Cl4 N6 O4 S2
• SMILES: c1(nc(ccn1)c1c[nH+]ccc1)S(=O)(=O)C.[Cd](Cl)(Cl)([Cl-])[Cl-].c1(nc(ccn1)c1c[nH+]ccc1)S(=O)(=O)C
• Title of publication: Bis{3-[2-(methylsulfonyl)pyrimidin-4-yl]pyridinium} tetrachloridocadmium
• Authors of publication: Hu, Dahua; Liu, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1813
• a: 17.556 ± 0.003 Å
• b: 10.9541 ± 0.0015 Å
• c: 14.903 ± 0.002 Å
• α: 90°
• β: 113.354 ± 0.003°
• γ: 90°
• Cell volume: 2631.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes