Information card for entry 2023456

Structure parameters

• Chemical name: Bis(triphenylsulfonium) tetrachloridozinc(II)
• Formula: C36 H30 Cl4 S2 Zn
• Calculated formula: C36 H30 Cl4 S2 Zn
• SMILES: c1([S+](c2ccccc2)c2ccccc2)ccccc1.[S+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Zn](Cl)([Cl-])[Cl-]
• Title of publication: Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.
• Authors of publication: Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 4
• Pages of publication: 358 - 363
• a: 9.163 ± 0.0001 Å
• b: 17.5749 ± 0.0002 Å
• c: 21.1697 ± 0.0002 Å
• α: 90°
• β: 99.322 ± 0.001°
• γ: 90°
• Cell volume: 3364.12 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0315
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No