Information card for entry 4328465

Structure parameters

• Chemical name: tris(1,2-bis(ethylthiomethyl)benzene)tetrakis(trichloroindium(III)) dichloromethane solvate
• Formula: C38 H58 Cl16 In4 S6
• Calculated formula: C38 H58 Cl16 In4 S6
• SMILES: CC[S]1Cc2ccccc2C[S](CC)[In]23([S](CC)Cc4c(C[S](CC)[In]56([S](Cc7c(C[S]([In]81(Cl)(Cl)[Cl][In]([Cl]2)([Cl]8)([Cl]5)([Cl]3)[Cl]6)CC)cccc7)CC)(Cl)Cl)cccc4)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 24.016 ± 0.005 Å
• b: 18.726 ± 0.005 Å
• c: 14.995 ± 0.004 Å
• α: 90°
• β: 114.76 ± 0.02°
• γ: 90°
• Cell volume: 6124 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No