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Information card for entry 2244044
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| Coordinates | 2244044.cif |
|---|---|
| Structure factors | 2244044.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ~3~-Acetato)(μ~2~-acetato)bis(μ~3~-1,3-bis{[1-(2-oxidophenyl)ethylidene]amino}propan-2-olato)tetracopper(II) monohydrate |
|---|---|
| Formula | C21 H23 Cu2 N2 O5.5 |
| Calculated formula | C21 H23 Cu2 N2 O5.5 |
| SMILES | [Cu]123[N](=C(c4c(O2)cccc4)C)CC2[O]1[Cu]1(Oc4c(C(=[N]1C2)C)cccc4)[O]=C(O3)C.O |
| Title of publication | Tetranuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine |
| Authors of publication | Diallo, Alassane Saïdou; Thiam, Ibrahima Elhadji; Gueye-Ndiaye, Mbossé; Dieng, Moussa; Orton, James; Simon, Coles; Gaye, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 6.9688 ± 0.0001 Å |
| b | 25.8066 ± 0.0004 Å |
| c | 22.829 ± 0.0004 Å |
| α | 90° |
| β | 95.418 ± 0.002° |
| γ | 90° |
| Cell volume | 4087.25 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279947 (current) | 2022-12-20 | /cif/2: Fixing some Z values and formulae |
2244044.cif 2244044.hkl |
| 273204 | 2022-03-02 | cif/ hkl/ Adding structures of 2244044 via cif-deposit CGI script. |
2244044.cif 2244044.hkl |
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