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Information card for entry 7024670
Preview
| Coordinates | 7024670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H35 Cl Cu N6 O5 |
|---|---|
| Calculated formula | C35 H35 Cl Cu N6 O5 |
| SMILES | [Cu]123(Oc4c(C=[N]2Cc2[n]3cccc2)cc(cc4C(C)(C)C)C(C)(C)C)[n]2c3c4[n]1cccc4c1nccnc1c3ccc2.Cl(=O)(=O)(=O)[O-] |
| Title of publication | DNA photonuclease activity of four new copper(II) complexes under UV and red light: theoretical/experimental correlations with active species generation. |
| Authors of publication | de Souza, Bernardo; Bortoluzzi, Adailton J.; Bortolotto, Tiago; Fischer, Franciele Luane; Terenzi, Hernán; Ferreira, Dalva E. C.; Rocha, William R.; Neves, Ademir |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 8 |
| Pages of publication | 2027 - 2035 |
| a | 11.918 ± 0.001 Å |
| b | 25.743 ± 0.004 Å |
| c | 12.809 ± 0.001 Å |
| α | 90° |
| β | 116.671 ± 0.008° |
| γ | 90° |
| Cell volume | 3511.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1418 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| 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. |
7024670.cif |
| 179951 | 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 7/02/46. |
7024670.cif |
| 92632 | 2014-01-12 | cif/ Adding structures of 7024670 via cif-deposit CGI script. |
7024670.cif |
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Users of the data should acknowledge the original authors of the
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