Information card for entry 2021728

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium)] 1.66-hydrate]
• Formula: C22 H25.32 Cd N2 O13.66
• Calculated formula: C22 H25.32 Cd N2 O13.66
• Title of publication: Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand
• Authors of publication: Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• a: 10.4471 ± 0.0004 Å
• b: 10.9855 ± 0.0005 Å
• c: 11.6347 ± 0.0005 Å
• α: 83.241 ± 0.001°
• β: 70.219 ± 0.001°
• γ: 79.242 ± 0.001°
• Cell volume: 1232.25 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes