Information card for entry 2020094

Structure parameters

• Chemical name: Poly[[bis(nicotinic acid-κ<i>N</i>)di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium(II)] monohydrate]
• Formula: C14 H12 Cd N4 O5 S2
• Calculated formula: C14 H12 Cd N4 O5 S2
• Title of publication: A two-dimensional cadmium(II) polymer based on nicotinic acid and thiocyanate ligands
• Authors of publication: Zhou, Lin; Wang, Hui-Ting
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• a: 24.174 ± 0.005 Å
• b: 9.85 ± 0.002 Å
• c: 7.6135 ± 0.0015 Å
• α: 90°
• β: 92.44 ± 0.03°
• γ: 90°
• Cell volume: 1811.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes