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Information card for entry 2022240
Preview
| Coordinates | 2022240.cif |
|---|---|
| Structure factors | 2022240.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(2,2'-bipyridine)di-μ~3~-hydroxido-hexakis(μ-2-propylpentanoato)bis(2-propylpentanoato)pentazinc(II) |
|---|---|
| Formula | C84 H138 N4 O18 Zn5 |
| Calculated formula | C84 H138 N4 O18 Zn5 |
| Title of publication | Combining valproate and bipyridyl ligands to construct a 0D core-shell Zn~5~(μ~3~-OH)~2~ cluster and a 2D layered coordination network with a [Zn~3~(μ~3~-OH)]~2~ SBU |
| Authors of publication | Abu Ali, Hijazi; Darawsheh, Mohanad |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| a | 14.5681 ± 0.0006 Å |
| b | 19.477 ± 0.0008 Å |
| c | 17.8029 ± 0.0007 Å |
| α | 90° |
| β | 109.21 ± 0.001° |
| γ | 90° |
| Cell volume | 4770.2 ± 0.3 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
2022240.cif 2022240.hkl |
| 255585 | 2020-08-22 | cif/ hkl/ Adding structures of 2022240, 2022241 via cif-deposit CGI script. |
2022240.cif 2022240.hkl |
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Users of the data should acknowledge the original authors of the
structural data.