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Information card for entry 4084596
Preview
| Coordinates | 4084596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H36 Au2 Cl8 O4 P2 Ti |
|---|---|
| Calculated formula | C40 H36 Au2 Cl8 O4 P2 Ti |
| SMILES | [Au](Cl)[P](CC(=O)O[Ti]12345678(OC(=O)C[P]([Au]Cl)(c9ccccc9)c9ccccc9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Organometallic Titanocene-Gold Compounds as Potential Chemotherapeutics in Renal Cancer. Study of their Protein Kinase Inhibitory Properties. |
| Authors of publication | Fernández-Gallardo, Jacob; Elie, Benelita T.; Sulzmaier, Florian J.; Sanaú, Mercedes; Ramos, Joe W.; Contel, María |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 22 |
| Pages of publication | 6669 - 6681 |
| a | 10.298 ± 0.002 Å |
| b | 14.924 ± 0.003 Å |
| c | 15.579 ± 0.003 Å |
| α | 84.15 ± 0.03° |
| β | 80.48 ± 0.03° |
| γ | 79.55 ± 0.03° |
| Cell volume | 2315.8 ± 0.8 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 | 0.1089 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.1624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178734 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45. |
4084596.cif |
| 131421 | 2015-02-07 | cif/ Updating files of 4084596 Original log message: Adding full bibliography for 4084596.cif. |
4084596.cif |
| 126099 | 2014-10-31 | cif/ Adding structures of 4084596 via cif-deposit CGI script. |
4084596.cif |
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Users of the data should acknowledge the original authors of the
structural data.