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Information card for entry 2020881
Preview
| Coordinates | 2020881.cif |
|---|---|
| Structure factors | 2020881.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[μ-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido]-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis{aqua[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]lead(II)} |
|---|---|
| Formula | C40 H36 N20 O6 Pb2 |
| Calculated formula | C40 H36 N20 O6 Pb2 |
| SMILES | [Pb]12([OH2])([O]=C(/C=C/c3ccccc3)Nc3n1nnn3)[O]=C(/C=C/c1ccccc1)Nc1n2nnn1 |
| Title of publication | Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures |
| Authors of publication | Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 9.1343 ± 0.0018 Å |
| b | 14.26 ± 0.003 Å |
| c | 16.985 ± 0.003 Å |
| α | 90° |
| β | 91.3 ± 0.03° |
| γ | 90° |
| Cell volume | 2211.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020881.cif 2020881.hkl |
| 205156 | 2018-01-13 | cif/ hkl/ Adding structures of 2020880, 2020881, 2020882 via cif-deposit CGI script. |
2020881.cif 2020881.hkl |
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