Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237167
Preview
| Coordinates | 7237167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate |
|---|---|
| Chemical name | diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate |
| Formula | C4 H16 Cl2 Cu N20 O10 |
| Calculated formula | C4 H16 Cl2 Cu N20 O10 |
| Title of publication | Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands |
| Authors of publication | Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 33 |
| Pages of publication | 16257 |
| a | 10.3883 ± 0.0003 Å |
| b | 10.3883 ± 0.0003 Å |
| c | 10.0967 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1089.6 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237167.cif |
| 237469 | 2019-11-24 | cif/ Adding structures of 7237167, 7237168, 7237169, 7237170, 7237171, 7237172, 7237173, 7237174, 7237175, 7237176, 7237177, 7237178, 7237179, 7237180, 7237181, 7237182, 7237183, 7237184, 7237185, 7237186 via cif-deposit CGI script. |
7237167.cif |
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.