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Information card for entry 4337556
Preview
| Coordinates | 4337556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H25 Cu2 N13 O14 |
|---|---|
| Calculated formula | C26 H25 Cu2 N13 O14 |
| SMILES | [Cu]1([OH2])(ON(=O)=O)([n]2[nH]c([n]([Cu]3([OH2])(ON(=O)=O)[n]4cccc5ccc6ccc[n]3c6c45)c2N)N)[n]2cccc3ccc4ccc[n]1c4c23.O=N(=O)[O-].O=N(=O)[O-] |
| Title of publication | Two novel ternary dicopper(II) μ-guanazole complexes with aromatic amines strongly activated by quantum dots for DNA cleavage. |
| Authors of publication | Hernández-Gil, Javier; Ferrer, Sacramento; Castiñeiras, Alfonso; Liu-González, Malva; Lloret, Francesc; Ribes, Angela; Coga, Lucija; Bernecker, Anja; Mareque-Rivas, Juan C |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 578 - 593 |
| a | 10.725 ± 0.005 Å |
| b | 12.31 ± 0.005 Å |
| c | 14.278 ± 0.005 Å |
| α | 103.673 ± 0.005° |
| β | 102.037 ± 0.005° |
| γ | 108.806 ± 0.005° |
| Cell volume | 1648.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1631 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337556.cif |
| 179478 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75. |
4337556.cif |
| 106463 | 2014-03-15 | cif/ Adding structures of 4337556 via cif-deposit CGI script. |
4337556.cif |
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Users of the data should acknowledge the original authors of the
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