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Information card for entry 2022798
Preview
| Coordinates | 2022798.cif |
|---|---|
| Structure factors | 2022798.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>H</i>-Imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)tyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II) |
|---|---|
| Formula | C19 H17 Cu N3 O4 |
| Calculated formula | C19 H17 Cu N3 O4 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[N-(2-oxidobenzylidene)tyrosinato-κ3 O,N,O′]copper(II) |
| Authors of publication | Suzuki, Soma; Akiyama, Yukihito; Nakane, Daisuke; Akitsu, Takashiro |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 5.5005 ± 0.0002 Å |
| b | 12.1363 ± 0.0005 Å |
| c | 26.147 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1745.46 ± 0.12 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 | 0.0255 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284696 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022798 via cif-deposit CGI script. |
2022798.cif 2022798.hkl |
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Users of the data should acknowledge the original authors of the
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