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Information card for entry 7028601
Preview
| Coordinates | 7028601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H25 Cu N5 O6 |
|---|---|
| Calculated formula | C27 H25 Cu N5 O6 |
| SMILES | [Cu]12([N](NC(=[O]2)N(Cc2ccccc2)Cc2ccccc2)=Cc2c(O1)cc(O)cc2)[n]1ccccc1.O=N(=O)[O-] |
| Title of publication | Copper(II) complexes of substituted salicylaldehyde dibenzyl semicarbazones: synthesis, cytotoxicity and interaction with quadruplex DNA. |
| Authors of publication | Munira Haidad Ali, Siti; Yan, Yaw-Kai; Lee, Peter P. F.; Khong, Kenny Zhi Xiang; Alam Sk, Mahasin; Lim, Kok Hwa; Klejevskaja, Beata; Vilar, Ramon |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 3 |
| Pages of publication | 1449 - 1459 |
| a | 9.587 ± 0.001 Å |
| b | 16.27 ± 0.002 Å |
| c | 17.13 ± 0.003 Å |
| α | 90° |
| β | 101.44 ± 0.01° |
| γ | 90° |
| Cell volume | 2618.9 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 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. |
7028601.cif |
| 179992 | 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 7/02/86. |
7028601.cif |
| 105371 | 2014-03-12 | cif/ Adding structures of 7028600, 7028601 via cif-deposit CGI script. |
7028601.cif |
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Users of the data should acknowledge the original authors of the
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