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Information card for entry 2108189
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| Coordinates | 2108189.cif |
|---|---|
| Structure factors | 2108189.hkl |
| Original IUCr paper | HTML |
| Common name | 'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) monohydrate' |
|---|---|
| Chemical name | 'Potassium tetrachlorobis(dimethyl sulfoxide)iridate(III) monohydrate' |
| Formula | C4 H14 Cl4 Ir K O3 S2 |
| Calculated formula | C4 H14 Cl4 Ir K O3 S2 |
| SMILES | [Ir](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[S](=O)(C)C.[K+].O |
| 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 | 12.1963 ± 0.0002 Å |
| b | 7.4652 ± 0.0002 Å |
| c | 16.4793 ± 0.0004 Å |
| α | 90° |
| β | 96.055 ± 0.001° |
| γ | 90° |
| Cell volume | 1492.03 ± 0.06 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2108189.cif 2108189.hkl |
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Users of the data should acknowledge the original authors of the
structural data.