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Information card for entry 1505016
Preview
| Coordinates | 1505016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 Cl4 Cu2 N10 |
|---|---|
| Calculated formula | C14 H14 Cl4 Cu2 N10 |
| SMILES | [Cu]12(Cl)(Cl)[n]3[n]([Cu]4(Cl)(Cl)[n]5[n]2cn(N)c5c2[n]4cccc2)cn(N)c3c2[n]1cccc2 |
| Title of publication | Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells. |
| Authors of publication | Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2007 |
| Journal volume | 50 |
| Journal issue | 8 |
| Pages of publication | 1916 - 1924 |
| a | 8.346 ± 0.001 Å |
| b | 14.28 ± 0.004 Å |
| c | 8.376 ± 0.003 Å |
| α | 90° |
| β | 93.43 ± 0.02° |
| γ | 90° |
| Cell volume | 996.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0915 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0523 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505016.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505016.cif |
| 45280 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505016, 1505017, 1505018 via cif-deposit CGI script. |
1505016.cif |
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Users of the data should acknowledge the original authors of the
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