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Information card for entry 2108192
Preview
| Coordinates | 2108192.cif |
|---|---|
| Structure factors | 2108192.hkl |
| Original paper (by DOI) | HTML |
| Common name | Potassium tetrachlorobis(dimethylsulfoxide)iridate(III) |
|---|---|
| Chemical name | Potassium tetrachlorobis(dimethylsulfoxide)iridate(III) |
| Formula | C4 H12 Cl4 Ir K O2 S2 |
| Calculated formula | C4 H12 Cl4 Ir K O2 S2 |
| SMILES | [Ir](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[S](=O)(C)C.[K+] |
| Title of publication | Conformational and structural diversity of iridium dimethyl sulfoxide complexes |
| Authors of publication | Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 1032 - 1042 |
| a | 8.9902 ± 0.0007 Å |
| b | 15.199 ± 0.0014 Å |
| c | 10.7569 ± 0.0009 Å |
| α | 90° |
| β | 91.425 ± 0.007° |
| γ | 90° |
| Cell volume | 1469.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1127 |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205694 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2108189, 2108190, 2108191, 2108192 via cif-deposit CGI script. |
2108192.cif 2108192.hkl |
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Users of the data should acknowledge the original authors of the
structural data.