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Information card for entry 7040272
Preview
| Coordinates | 7040272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H12 O2 S2 |
|---|---|
| Calculated formula | C11 H12 O2 S2 |
| SMILES | S=C(SC)/C=C(\O)c1ccccc1OC |
| Title of publication | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. |
| Authors of publication | Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 47 |
| Pages of publication | 18876 - 18891 |
| a | 10.4024 ± 0.0004 Å |
| b | 14.0954 ± 0.0006 Å |
| c | 7.7684 ± 0.0003 Å |
| α | 90° |
| β | 92.53 ± 0.002° |
| γ | 90° |
| Cell volume | 1137.94 ± 0.08 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7040272.cif |
| 190201 | 2017-01-09 | cif/ Updating files of 7040272, 7040273, 7040274, 7040275, 7040276, 7040277, 7040278, 7040279, 7040280, 7040281 Original log message: Adding full bibliography for 7040272--7040281.cif. |
7040272.cif |
| 185760 | 2016-08-12 | cif/ Adding structures of 7040272, 7040273, 7040274, 7040275, 7040276, 7040277, 7040278, 7040279, 7040280, 7040281 via cif-deposit CGI script. |
7040272.cif |
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Users of the data should acknowledge the original authors of the
structural data.