Information card for entry 2019511

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Formula: C32 H26 Co N6 O6
• Calculated formula: C32 H26 Co N6 O6
• SMILES: [Co](OC(=O)c1ccc(cc1)C(=O)[O-])([OH2])([OH2])([n]1cccc(c1)c1nc2ccccc2[nH]1)([n]1cccc(c1)c1nc2ccccc2[nH]1)OC(=O)c1ccc(C(=O)O[Co]([OH2])([OH2])([n]2cccc(c2)c2nc3ccccc3[nH]2)[n]2cccc(c2)c2nc3ccccc3[nH]2)cc1
• Title of publication: Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands
• Authors of publication: Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 488 - 492
• a: 11.46 ± 0.002 Å
• b: 16.543 ± 0.003 Å
• c: 14.674 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes