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Information card for entry 2108984
Preview
| Coordinates | 2108984.cif |
|---|---|
| Structure factors | 2108984.hkl |
| Original IUCr paper | HTML |
| Formula | C68 H67 N4 O18 Zn2 |
|---|---|
| Calculated formula | C68 H67 N4 O18 Zn2 |
| 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 | 12.05 ± 0.008 Å |
| b | 8.11 ± 0.003 Å |
| c | 31.47 ± 0.018 Å |
| α | 90° |
| β | 92.48 ± 0.03° |
| γ | 90° |
| Cell volume | 3073 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1011 |
| Residual factor for significantly intense reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.2343 |
| Weighted residual factors for all reflections included in the refinement | 0.2468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.82612 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2108984.cif 2108984.hkl |
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Users of the data should acknowledge the original authors of the
structural data.