Information card for entry 2108189

Structure parameters

• 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 ų
• 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