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Information card for entry 2108985
Preview
| Coordinates | 2108985.cif |
|---|---|
| Structure factors | 2108985.hkl |
| Original paper (by DOI) | HTML |
| Formula | C22 H32 Cu N2 O12 |
|---|---|
| Calculated formula | C22 H32 Cu N2 O12 |
| Title of publication | Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes |
| Authors of publication | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 3 Part 2 |
| a | 13.9887 ± 0.0007 Å |
| b | 6.891 ± 0.0002 Å |
| c | 14.3405 ± 0.0007 Å |
| α | 90° |
| β | 109.51 ± 0.005° |
| γ | 90° |
| Cell volume | 1303 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275739 (current) | 2022-06-02 | cif/ hkl/ Adding structures of 2108984, 2108985, 2108986, 2108987, 2108988 via cif-deposit CGI script. |
2108985.cif 2108985.hkl |
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Users of the data should acknowledge the original authors of the
structural data.