Information card for entry 4328463

Structure parameters

• Chemical name: 1,2-phenylenebis[(chloromethyl)(methyl)sulfonium] bis(tetrachlorogallate(III))
• Formula: C10 H14 Cl10 Ga2 S2
• Calculated formula: C10 H14 Cl10 Ga2 S2
• SMILES: [Ga](Cl)(Cl)(Cl)[Cl-].[Ga](Cl)(Cl)([Cl-])Cl.ClC[S+](C)c1ccccc1[S+](CCl)C
• Title of publication: Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands
• Authors of publication: Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2231 - 2240
• a: 9.4813 ± 0.0015 Å
• b: 14.009 ± 0.003 Å
• c: 18.403 ± 0.003 Å
• α: 90°
• β: 104.377 ± 0.01°
• γ: 90°
• Cell volume: 2367.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No