Information card for entry 1540702

Structure parameters

• Common name: In(DMSO)3Cl3
• Chemical name: trichlorotris(dimethyl sulfoxide)indium(III)
• Formula: C6 H18 Cl3 In O3 S3
• Calculated formula: C6 H18 Cl3 In O3 S3
• SMILES: CS(C)=[O][In]([O]=S(C)C)([O]=S(C)C)(Cl)(Cl)Cl
• Title of publication: Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells
• Authors of publication: Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W.
• Journal of publication: Energy Environ. Sci.
• Year of publication: 2016
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 130
• a: 7.7728 ± 0.0004 Å
• b: 8.7954 ± 0.0006 Å
• c: 13.4794 ± 0.0007 Å
• α: 81.826 ± 0.004°
• β: 79.433 ± 0.003°
• γ: 64.156 ± 0.002°
• Cell volume: 813.27 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No