Information card for entry 2023455

Structure parameters

• Chemical name: Bis(triphenylsulfonium) tetrachloridomercury(II) methanol monosolvate
• Formula: C37 H34 Cl4 Hg O S2
• Calculated formula: C37 H34 Cl4 Hg O S2
• SMILES: Cl[Hg](Cl)([Cl-])[Cl-].[S+](c1ccccc1)(c1ccccc1)c1ccccc1.[S+](c1ccccc1)(c1ccccc1)c1ccccc1.CO
• 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: 9.43577 ± 0.00014 Å
• b: 18.0709 ± 0.0003 Å
• c: 21.2467 ± 0.0003 Å
• α: 90°
• β: 95.1778 ± 0.0014°
• γ: 90°
• Cell volume: 3608.05 ± 0.1 ų
• Cell temperature: 99.8 ± 0.8 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No