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Information card for entry 7058947
Preview
| Coordinates | 7058947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis(2-aminotetrazolyl) bis(trinitroresorcinyl) copper(II) |
|---|---|
| Chemical name | bis(2-aminotetrazolyl) bis(trinitroresorcinyl) copper(II) |
| Formula | C14 H10 Cu N16 O16 |
| Calculated formula | C14 H10 Cu N16 O16 |
| 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 | 6.2297 ± 0.0004 Å |
| b | 8.806 ± 0.0006 Å |
| c | 12.0376 ± 0.0007 Å |
| α | 79.309 ± 0.005° |
| β | 89.906 ± 0.005° |
| γ | 82.408 ± 0.005° |
| Cell volume | 643.04 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058947.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7058947.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. |
7058947.cif |
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Users of the data should acknowledge the original authors of the
structural data.