Information card for entry 2238718

Structure parameters

• Chemical name: Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide
• Formula: C12 H36 I4 O6 S6 Zn
• Calculated formula: C12 H36 I4 O6 S6 Zn
• SMILES: CS(C)=[O][Zn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].II.[I-]
• Title of publication: Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide
• Authors of publication: Garzón-Tovar, Luis; Duarte-Ruiz, Álvaro; Fanwick, Phillip E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m618
• a: 11.8399 ± 0.0007 Å
• b: 11.8399 ± 0.0007 Å
• c: 19.711 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2393 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No