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Information card for entry 7215906
Preview
| Coordinates | 7215906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H16 N6 O6 Pd S2 |
|---|---|
| Calculated formula | C22 H16 N6 O6 Pd S2 |
| SMILES | C1(=O)c2ccccc2S(=O)(=O)N1[Pd](N1C(=O)c2ccccc2S1(=O)=O)([n]1ncccc1)[n]1ncccc1 |
| Title of publication | Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes |
| Authors of publication | Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 30 |
| Pages of publication | 7124 |
| a | 8.053 ± 0.0003 Å |
| b | 9.722 ± 0.0004 Å |
| c | 16.051 ± 0.0004 Å |
| α | 90° |
| β | 96.788 ± 0.002° |
| γ | 90° |
| Cell volume | 1247.84 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0772 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215906.cif |
| 180490 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59. |
7215906.cif |
| 121573 | 2014-08-08 | cif/ Updating files of 7215906, 7215907, 7215908, 7215909, 7215910 Original log message: Adding full bibliography for 7215906--7215910.cif. |
7215906.cif |
| 113852 | 2014-05-16 | cif/ Adding structures of 7215906, 7215907, 7215908, 7215909, 7215910 via cif-deposit CGI script. |
7215906.cif |
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