Information card for entry 2019909

Structure parameters

• Chemical name: Poly[4-(dimethylamino)pyridin-1-ium [di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-thiocyanato-κ<i>N</i>-cadmium(II)]]
• Formula: C10 H11 Cd N5 S3
• Calculated formula: C10 H11 Cd N5 S3
• Title of publication: A new two-dimensional anionic cadmium(II) polymer constructed through thiocyanate coordination bridges
• Authors of publication: Wang, Hui-Ting; Wang, Xiao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• a: 10.319 ± 0.002 Å
• b: 15.029 ± 0.003 Å
• c: 9.954 ± 0.002 Å
• α: 90°
• β: 100.02 ± 0.03°
• γ: 90°
• Cell volume: 1520.2 ± 0.5 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: 0.0471
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes