Information card for entry 7029103

Structure parameters

• Chemical name: dimethylsulfonium tetrachloroaluminate
• Formula: C2 H7 Al Cl4 S
• Calculated formula: C2 H7 Al Cl4 S
• SMILES: [Al](Cl)(Cl)(Cl)[Cl-].[SH+](C)C
• Title of publication: Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.
• Authors of publication: George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3637 - 3648
• a: 14.378 ± 0.003 Å
• b: 10.908 ± 0.002 Å
• c: 12.374 ± 0.003 Å
• α: 90°
• β: 90.26 ± 0.003°
• γ: 90°
• Cell volume: 1940.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No