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Information card for entry 7035671
Preview
| Coordinates | 7035671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,l'-bis (dipheny1phosphino)ferrocene pyridine-2-thiolato-1-oxide palladium hexafluorophosphate |
|---|---|
| Formula | C39 H32 F6 Fe N O P3 Pd S |
| Calculated formula | C39 H32 F6 Fe N O P3 Pd S |
| SMILES | [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P](c1ccccc1)(c1ccccc1)[Pd]1([O]=n3c(cccc3)S1)[P]2(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Aromatic amine N-oxide organometallic compounds: searching for prospective agents against infectious diseases. |
| Authors of publication | Rodríguez Arce, Esteban; Mosquillo, M. Florencia; Pérez-Díaz, Leticia; Echeverría, Gustavo A; Piro, Oscar E.; Merlino, Alicia; Coitiño, E Laura; Maríngolo Ribeiro, Camila; Leite, Clarice Q. F.; Pavan, Fernando R.; Otero, Lucía; Gambino, Dinorah |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 32 |
| Pages of publication | 14453 - 14464 |
| a | 10.3446 ± 0.0016 Å |
| b | 22.319 ± 0.003 Å |
| c | 17.307 ± 0.003 Å |
| α | 90° |
| β | 106.232 ± 0.018° |
| γ | 90° |
| Cell volume | 3836.6 ± 1.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.1826 |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.1847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| 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. |
7035671.cif |
| 153225 | 2015-08-08 | cif/ Updating files of 7035671, 7035672 Original log message: Adding full bibliography for 7035671--7035672.cif. |
7035671.cif |
| 141008 | 2015-07-08 | cif/ Adding structures of 7035671, 7035672 via cif-deposit CGI script. |
7035671.cif |
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