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Information card for entry 2312156
Preview
| Coordinates | 2312156.cif |
|---|---|
| Structure factors | 2312156.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(8-hydroxyquinoline-2-carboxylato-κ^3^<i>N</i>,<i>O</i>^2^,<i>O</i>^8^)zirconium(IV) dimethylformamide disolvate |
|---|---|
| Formula | C26 H28 N4 O10 Zr |
| Calculated formula | C26 H28 N4 O10 Zr |
| Title of publication | Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid. |
| Authors of publication | Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 11.3873 ± 0.0005 Å |
| b | 9.0517 ± 0.0004 Å |
| c | 14.4136 ± 0.0007 Å |
| α | 90° |
| β | 113.225 ± 0.001° |
| γ | 90° |
| Cell volume | 1365.28 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285294 (current) | 2023-07-20 | cif/ hkl/ Adding structures of 2312156 via cif-deposit CGI script. |
2312156.cif 2312156.hkl |
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Users of the data should acknowledge the original authors of the
structural data.