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Information card for entry 2022727
Preview
| Coordinates | 2022727.cif |
|---|---|
| Structure factors | 2022727.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)–(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II) |
|---|---|
| Formula | C24 H32 Cu2 N4 O9 |
| Calculated formula | C24 H32 Cu2 N2 O9 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of mono/bis-(aqua-κ<i>O</i>)[<i>N</i>-(2-oxido-benzyl-idene)valinato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>']copper(II): dimeric Schiff base copper(II) complexes having different numbers of coordinated water mol-ecules. |
| Authors of publication | Akiyama, Yukihito; Suzuki, Soma; Suda, Shintaro; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 361 - 366 |
| a | 5.2966 ± 0.0003 Å |
| b | 15.8698 ± 0.001 Å |
| c | 29.5216 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2481.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0254 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections included in the refinement | 0.0525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283589 (current) | 2023-05-06 | cif/ Updating files of 2022727 Original log message: Adding full bibliography for 2022727.cif. |
2022727.cif 2022727.hkl |
| 282408 | 2023-04-05 | cif/ hkl/ Adding structures of 2022727 via cif-deposit CGI script. |
2022727.cif 2022727.hkl |
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