Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058950
Preview
| Coordinates | 7058950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | copper(II) 1-AMT trinitrophloroglucinate hydrate |
|---|---|
| Formula | C16 H18 Cu N16 O20 |
| Calculated formula | C16 H18 Cu N16 O20 |
| Title of publication | Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions |
| Authors of publication | Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 18193 - 18202 |
| a | 19.3734 ± 0.0007 Å |
| b | 7.3825 ± 0.0003 Å |
| c | 20.6095 ± 0.0008 Å |
| α | 90° |
| β | 108.836 ± 0.001° |
| γ | 90° |
| Cell volume | 2789.8 ± 0.19 Å3 |
| Cell temperature | 111 ± 2 K |
| Ambient diffraction temperature | 111 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301442 (current) | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7058950.cif |
| 276335 | 2022-06-28 | cif/7/05/89/ Removed the '_chemical_name_systematic' data item that had an incorrect value from entry 7058950. |
7058950.cif |
| 220352 | 2019-10-29 | cif/ Adding structures of 7058936, 7058937, 7058938, 7058939, 7058940, 7058941, 7058942, 7058943, 7058944, 7058945, 7058946, 7058947, 7058948, 7058949, 7058950, 7058951 via cif-deposit CGI script. |
7058950.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.