Information card for entry 2019598

Structure parameters

• Chemical name: Poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]
• Formula: C19 H24 Cd N2 O5 S
• Calculated formula: C19 H22 Cd N2 O5 S
• Title of publication: A three-dimensional cadmium(II) coordination polymer: poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]
• Authors of publication: Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 712 - 714
• a: 17.1629 ± 0.0006 Å
• b: 16.5904 ± 0.0006 Å
• c: 16.1754 ± 0.0006 Å
• α: 90°
• β: 112.75 ± 0.001°
• γ: 90°
• Cell volume: 4247.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes