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Information card for entry 7237182
Preview
| Coordinates | 7237182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | tris(1-aminotetrazolyl) dinitrato copper(II) |
|---|---|
| Chemical name | tris(1-aminotetrazolyl) dinitrato copper(II) |
| Formula | C3 H9 Cu N17 O6 |
| Calculated formula | C3 H9 Cu N17 O6 |
| 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 | 15.301 ± 0.005 Å |
| b | 6.684 ± 0.005 Å |
| c | 15.203 ± 0.005 Å |
| α | 90° |
| β | 106.027 ± 0.005° |
| γ | 90° |
| Cell volume | 1494.4 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.0575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7237182.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. |
7237182.cif |
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Users of the data should acknowledge the original authors of the
structural data.