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Information card for entry 2021565
Preview
| Coordinates | 2021565.cif |
|---|---|
| Structure factors | 2021565.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tris[μ-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-<i>triangulo</i>-tris[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')palladium(II)] hexakis(hexafluoridophosphate) acetonitrile heptasolvate |
|---|---|
| Formula | C80 H75 F36 N25 P6 Pd3 |
| Calculated formula | C80 H75 F36 N25 P6 Pd3 |
| Title of publication | A triangular palladium(II) supramolecular coordination complex based on 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene and (2,2'-bipyridyl)palladium(II) nitrate: synthesis and crystal structure |
| Authors of publication | Daran, Jean-Claude; Gimeno, Nicolas; Gouygou, Maryse; Volkman, Jérôme |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| a | 17.8173 ± 0.0004 Å |
| b | 18.0361 ± 0.0004 Å |
| c | 18.0674 ± 0.0004 Å |
| α | 105.211 ± 0.002° |
| β | 93.579 ± 0.002° |
| γ | 100.586 ± 0.002° |
| Cell volume | 5469.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021565.cif 2021565.hkl |
| 214563 | 2019-04-09 | cif/ hkl/ Adding structures of 2021565 via cif-deposit CGI script. |
2021565.cif 2021565.hkl |
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Users of the data should acknowledge the original authors of the
structural data.