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Information card for entry 1569457
Preview
| Coordinates | 1569457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H38 I2 N6 Pd2 S |
|---|---|
| Calculated formula | C39 H38 I2 N6 Pd2 S |
| Title of publication | Molecular Switching through Chalcogen-Bond-Induced Isomerization of Binuclear (Diaminocarbene)PdII Complexes |
| Authors of publication | Popov, Roman A.; Novikov, Alexander S.; Suslonov, Vitalii V.; Boyarskiy, Vadim P. |
| Journal of publication | Inorganics |
| Year of publication | 2023 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 255 |
| a | 16.654 ± 0.0004 Å |
| b | 16.7752 ± 0.0003 Å |
| c | 15.361 ± 0.0003 Å |
| α | 90° |
| β | 111.854 ± 0.003° |
| γ | 90° |
| Cell volume | 3983.06 ± 0.17 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0373 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285002 (current) | 2023-07-06 | cif/ Adding structures of 1569457 via cif-deposit CGI script. |
1569457.cif |
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