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Information card for entry 2022837
Preview
| Coordinates | 2022837.cif |
|---|---|
| Structure factors | 2022837.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(2,2'-bipyridineκ^2^<i>N</i>,<i>N</i>')bis(3-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-copper(II) 0.68-hydrate, |
|---|---|
| Formula | C26 H25.36 Cu N2 O5.68 |
| Calculated formula | C26 H25.36 Cu N2 O5.68 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands |
| Authors of publication | Qadir, Adnan |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 9 |
| a | 16.754 ± 0.003 Å |
| b | 7.0021 ± 0.0012 Å |
| c | 22.103 ± 0.004 Å |
| α | 90° |
| β | 106.522 ± 0.006° |
| γ | 90° |
| Cell volume | 2485.9 ± 0.8 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285785 (current) | 2023-08-16 | cif/ hkl/ Adding structures of 2022837 via cif-deposit CGI script. |
2022837.cif 2022837.hkl |
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