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Information card for entry 2020514
Preview
Coordinates | 2020514.cif |
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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] |
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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 |
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The link is: https://www.crystallography.net/2020514.html
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