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Information card for entry 7159428
Preview
| Coordinates | 7159428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H19 Cl2 N O Pd S |
|---|---|
| Calculated formula | C12 H19 Cl2 N O Pd S |
| SMILES | [Pd]1(Cl)(Cl)[S@@](=O)(C[C@@H]([NH2]1)c1ccccc1)C(C)(C)C |
| Title of publication | Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes. |
| Authors of publication | Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 28 |
| Pages of publication | 5827 - 5839 |
| a | 9.7251 ± 0.0003 Å |
| b | 11.3374 ± 0.0003 Å |
| c | 14.2512 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1571.3 ± 0.08 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0169 |
| Weighted residual factors for significantly intense reflections | 0.0392 |
| Weighted residual factors for all reflections included in the refinement | 0.0403 |
| 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 |
|---|---|---|---|
| 285503 (current) | 2023-08-05 | cif/ Updating files of 7159420, 7159421, 7159422, 7159423, 7159424, 7159425, 7159426, 7159427, 7159428, 7159429, 7159430, 7159431, 7159432, 7159433, 7159434, 7159435, 7159436 Original log message: Adding full bibliography for 7159420--7159436.cif. |
7159428.cif |
| 284662 | 2023-06-29 | cif/ Adding structures of 7159420, 7159421, 7159422, 7159423, 7159424, 7159425, 7159426, 7159427, 7159428, 7159429, 7159430, 7159431, 7159432, 7159433, 7159434, 7159435, 7159436 via cif-deposit CGI script. |
7159428.cif |
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