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Information card for entry 7215907
Preview
| Coordinates | 7215907.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H10 N O3 Pd0.5 S2 |
|---|---|
| Calculated formula | C9 H10 N O3 Pd0.5 S2 |
| 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 | 8.3977 ± 0.0014 Å |
| b | 11.2186 ± 0.0018 Å |
| c | 12.207 ± 0.002 Å |
| α | 90° |
| β | 108.288 ± 0.005° |
| γ | 90° |
| Cell volume | 1091.9 ± 0.3 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/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1692 |
| Weighted residual factors for all reflections included in the refinement | 0.1752 |
| 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 |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7215907.cif |
| 121573 | 2014-08-08 | cif/ Updating files of 7215906, 7215907, 7215908, 7215909, 7215910 Original log message: Adding full bibliography for 7215906--7215910.cif. |
7215907.cif |
| 113852 | 2014-05-16 | cif/ Adding structures of 7215906, 7215907, 7215908, 7215909, 7215910 via cif-deposit CGI script. |
7215907.cif |
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Users of the data should acknowledge the original authors of the
structural data.