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Information card for entry 7706448
Preview
| Coordinates | 7706448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 Cu N4 O12 |
|---|---|
| Calculated formula | C14 H16 Cu N4 O12 |
| SMILES | [Cu]1([n]2c(cc(c(c2)C(=O)OC)C(=O)OC)c2[n]1cccc2)(ON(=O)=O)(ON(=O)=O)[OH2].O |
| Title of publication | Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity. |
| Authors of publication | Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 7 |
| Pages of publication | 2627 - 2638 |
| a | 10.3255 ± 0.0006 Å |
| b | 22.7235 ± 0.0011 Å |
| c | 8.0546 ± 0.0005 Å |
| α | 90° |
| β | 101.849 ± 0.006° |
| γ | 90° |
| Cell volume | 1849.59 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706448.cif |
| 262647 | 2021-03-05 | cif/ Updating files of 7706448, 7706449, 7706450, 7706451, 7706452 Original log message: Adding full bibliography for 7706448--7706452.cif. |
7706448.cif |
| 261073 | 2021-01-20 | cif/ Adding structures of 7706448, 7706449, 7706450, 7706451, 7706452 via cif-deposit CGI script. |
7706448.cif |
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Users of the data should acknowledge the original authors of the
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