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Information card for entry 2020514
Preview
| Coordinates | 2020514.cif |
|---|---|
| Structure factors | 2020514.hkl |
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182945 (current) | 2016-05-14 | cif/ hkl/ Adding structures of 2020514 via cif-deposit CGI script. |
2020514.cif 2020514.hkl |
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