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Information card for entry 7028468
Preview
| Coordinates | 7028468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H17 Cu N5 O6 |
|---|---|
| Calculated formula | C23 H17 Cu N5 O6 |
| SMILES | [Cu]12([n]3cccc4c3c3[n]1cccc3c1nc(oc41)c1ccncc1)([O]=C(C)C=C(O2)C)ON(=O)=O |
| Title of publication | Synthesis, characterization, DNA binding, cleavage activity and cytotoxicity of copper(ii) complexes. |
| Authors of publication | Li, Mei-Jin; Lan, Tao-Yu; Cao, Xiu-Hui; Yang, Huang-Hao; Shi, Yupeng; Yi, Changqing; Chen, Guo-Nan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 7 |
| Pages of publication | 2789 - 2798 |
| a | 9.423 ± 0.0019 Å |
| b | 24.454 ± 0.005 Å |
| c | 9.295 ± 0.0019 Å |
| α | 90° |
| β | 92.96 ± 0.03° |
| γ | 90° |
| Cell volume | 2139 ± 0.8 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.75 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028468.cif |
| 179990 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84. |
7028468.cif |
| 105328 | 2014-03-12 | cif/ Adding structures of 7028468, 7028469 via cif-deposit CGI script. |
7028468.cif |
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Users of the data should acknowledge the original authors of the
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