Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020882
Preview
| Coordinates | 2020882.cif |
|---|---|
| Structure factors | 2020882.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Hexakis[μ~2~-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^]tricadmium(II) |
|---|---|
| Formula | C60 H48 Cd3 N30 O6 |
| Calculated formula | C60 H48 Cd3 N30 O6 |
| SMILES | [Cd]12345[O]=C(/C=C/c6ccccc6)Nc6n3[n]([Cd]37([n]8n4c(nn8)NC(=[O]1)/C=C/c1ccccc1)([n]1n4[Cd]89([O]=C(/C=C/c%10ccccc%10)Nc4nn1)([O]=C(/C=C/c1ccccc1)Nc1n8[n]3nn1)[O]=C(Nc1n9[n]7nn1)/C=C/c1ccccc1)[n]1n5c(nn1)NC(/C=C/c1ccccc1)=[O]2)nn6 |
| 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 | 20.035 ± 0.004 Å |
| b | 13.401 ± 0.003 Å |
| c | 25.119 ± 0.005 Å |
| α | 90° |
| β | 106.58 ± 0.03° |
| γ | 90° |
| Cell volume | 6464 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
2020882.cif 2020882.hkl |
| 205156 | 2018-01-13 | cif/ hkl/ Adding structures of 2020880, 2020881, 2020882 via cif-deposit CGI script. |
2020882.cif 2020882.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.