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Information card for entry 2243852
Preview
| Coordinates | 2243852.cif |
|---|---|
| Structure factors | 2243852.hkl |
| Original IUCr paper | HTML |
| Formula | C63 H80 Cu6 N8 O21 |
|---|---|
| Calculated formula | C63 H80 Cu6 N8 O21 |
| Title of publication | Hexanuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine incorporating an open-cubane core |
| Authors of publication | Kébé, Momath; Thiam, Ibrahima Elhadji; Sow, Mouhamadou Moustapha; Diouf, Ousmane; Barry, Aliou Hamady; Sall, Abdou Salam; Retailleau, Pascal; Gaye, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 7 |
| Pages of publication | 708 - 713 |
| a | 13.6406 ± 0.0005 Å |
| b | 14.0568 ± 0.0005 Å |
| c | 18.5907 ± 0.0007 Å |
| α | 83.626 ± 0.003° |
| β | 86.186 ± 0.003° |
| γ | 72.288 ± 0.003° |
| Cell volume | 3372.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266412 (current) | 2021-06-12 | cif/ hkl/ Adding structures of 2243852 via cif-deposit CGI script. |
2243852.cif 2243852.hkl |
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Users of the data should acknowledge the original authors of the
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