Information card for entry 2202306

Structure parameters

• Chemical name: hexakisdimethylsulfoxidealuminium(III) trichloride
• Formula: C12 H36 Al Cl3 O6 S6
• Calculated formula: C12 H36 Al Cl3 O6 S6
• SMILES: [O](=S(C)C)[Al]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Cl-].[Cl-].[Cl-]
• Title of publication: Hexakis(dimethyl sulfoxide-κ<i>O</i>)aluminium(III) trichloride
• Authors of publication: Dan Boström; Maria Clausén; Malin Sandström
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m934 - m935
• a: 10.376 ± 0.0006 Å
• b: 10.376 ± 0.0006 Å
• c: 22.021 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2053.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.027
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No