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Information card for entry 1520638
Preview
| Coordinates | 1520638.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 Au Fe O2 P S |
|---|---|
| Calculated formula | C29 H24 Au Fe O2 P S |
| SMILES | [Au]([P]([c]12[Fe]3456789([cH]%10[cH]6[cH]3[cH]4[cH]5%10)[cH]([cH]17)[cH]9[cH]28)(c1ccccc1)c1ccccc1)Sc1ccc(cc1)C(=O)O |
| Title of publication | Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo |
| Authors of publication | Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | 5269 |
| a | 9.187 ± 0.0001 Å |
| b | 9.964 ± 0.0002 Å |
| c | 15.554 ± 0.0003 Å |
| α | 108.411 ± 0.0011° |
| β | 96.805 ± 0.0012° |
| γ | 95.38 ± 0.0012° |
| Cell volume | 1328.34 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0846 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520638.cif |
| 171004 | 2015-12-09 | cif/ Updating files of 1520638 Original log message: Adding full bibliography for 1520638.cif. |
1520638.cif |
| 139534 | 2015-06-24 | cif/ Adding structures of 1520638 via cif-deposit CGI script. |
1520638.cif |
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Users of the data should acknowledge the original authors of the
structural data.