Information card for entry 2020402

Structure parameters

• Chemical name: <i>catena</i>-Poly[aqua(μ~3~-benzene-1,4-dicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(pyridine-κ<i>N</i>)cobalt(II)]
• Formula: C18 H16 Co N2 O5
• Calculated formula: C18 H16 Co N2 O5
• SMILES: [Co]1([OH2])([n]2ccccc2)([n]2ccccc2)([O]=C(c2ccc(cc2)C(=O)O2)O[Co]([OH2])([n]3ccccc3)([n]3ccccc3)[O]=C(O1)c1ccc(cc1)C(=O)[O-])OC(=O)c1ccc(cc1)C(O[Co]1([OH2])([n]3ccccc3)[n]3ccccc3)=[O][Co]2([OH2])([n]2ccccc2)([n]2ccccc2)OC(=[O]1)c1ccc(cc1)C(=O)[O-]
• Title of publication: Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands
• Authors of publication: Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 133 - 138
• a: 20.8487 ± 0.0011 Å
• b: 8.9363 ± 0.0005 Å
• c: 20.736 ± 0.0011 Å
• α: 90°
• β: 117.032 ± 0.001°
• γ: 90°
• Cell volume: 3441.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes