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Information card for entry 2022625
Preview
| Coordinates | 2022625.cif |
|---|---|
| Structure factors | 2022625.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis[μ~4~-2-(pyrazin-2-yl)quinoline-4-carboxylato]dicopper(I)copper(II)] bis(tetrafluoridoborate)] |
|---|---|
| Formula | C28 H20 B2 Cu3 F8 N6 O6 |
| Calculated formula | C28 H20 B2 Cu3 F8.006 N6 O6 |
| Title of publication | A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties |
| Authors of publication | Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 7 |
| a | 21.9637 ± 0.0008 Å |
| b | 12.4106 ± 0.0003 Å |
| c | 11.5844 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3157.71 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276307 (current) | 2022-06-28 | cif/ hkl/ Adding structures of 2022624, 2022625 via cif-deposit CGI script. |
2022625.cif 2022625.hkl |
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Users of the data should acknowledge the original authors of the
structural data.