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Information card for entry 1505018
Preview
| Coordinates | 1505018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H11 Cl2 Cu N5 S |
|---|---|
| Calculated formula | C9 H11 Cl2 Cu N5 S |
| 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 | 8.649 ± 0.003 Å |
| b | 9.313 ± 0.005 Å |
| c | 9.371 ± 0.004 Å |
| α | 68.69 ± 0.02° |
| β | 71.86 ± 0.02° |
| γ | 79.27 ± 0.02° |
| Cell volume | 666 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189846 (current) | 2017-01-05 | cif/1/50/50/ (antanas@kurmis) Changing the capitalization of _atom_type_symbol data item values and the values of related data items (e. g. _atom_site_type_symbol), updating the _chemical_formula_sum data item value in entry 1505018. |
1505018.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505018.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505018.cif |
| 45280 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505016, 1505017, 1505018 via cif-deposit CGI script. |
1505018.cif |
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Users of the data should acknowledge the original authors of the
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