Information card for entry 2020514

Structure parameters

• Chemical name: <i>catena</i>-Poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^]-cadmium(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^2^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^2^] dimethylformamide disolvate]
• Formula: C22 H21 Cd N5 O5
• Calculated formula: C22 H21 Cd N5 O5
• SMILES: [Cd]1234([n]5c6ccccc6[nH]c5Cn5c[n](cc5)[Cd]567([n]8c9ccccc9[nH]c8Cn8c[n]4cc8)[O]=C(O5)c4ccccc4C4=[O][Cd]5(O4)([n]4c8ccccc8[nH]c4Cn4cncc4)[O]=C(O5)c4ccccc4C(=[O]7)O6)[O]=C(O1)c1ccccc1C1=[O][Cd]4(O1)([n]1c5ccccc5[nH]c1Cn1cncc1)[O]=C(O4)c1ccccc1C(=[O]3)O2.N(C)(C=O)C.N(C)(C=O)C.N(C)(C=O)C.N(C)(C=O)C
• Title of publication: A new one-dimensional Cd^II^ coordination polymer with a two-dimensional layered structure incorporating 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate ligands
• Authors of publication: Huang, Qiu-Ying; Lin, Xiao-Yi; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• a: 8.5502 ± 0.0017 Å
• b: 9.2713 ± 0.0019 Å
• c: 15.363 ± 0.003 Å
• α: 88.48 ± 0.03°
• β: 83.73 ± 0.03°
• γ: 76.65 ± 0.03°
• Cell volume: 1177.8 ± 0.4 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: 0.0724
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes