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Information card for entry 2312621
Preview
| Coordinates | 2312621.cif |
|---|---|
| Structure factors | 2312621.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(μ-3,4-diethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(ethanol-κ<i>O</i>)copper(II)] |
|---|---|
| Formula | C48 H64 Cu2 O18 |
| Calculated formula | C48 H64 Cu2 O18 |
| Title of publication | Synthesis, crystal structure, magnetic behaviour and thermal stability of a paddle-wheel copper(II) complex bearing equatorial 3,4-diethoxybenzoate ligands. |
| Authors of publication | Bermúdez, Mariano Marziali; Muller, Federico G.; Baggio, Ricardo; Cukiernik, Fabio D. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 13.3799 ± 0.0008 Å |
| b | 13.7269 ± 0.0012 Å |
| c | 21.7569 ± 0.0013 Å |
| α | 83.135 ± 0.006° |
| β | 81.967 ± 0.005° |
| γ | 86.064 ± 0.006° |
| Cell volume | 3922.9 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1044 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294387 (current) | 2024-09-05 | cif/ hkl/ Adding structures of 2312621 via cif-deposit CGI script. |
2312621.cif 2312621.hkl |
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Users of the data should acknowledge the original authors of the
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