Information card for entry 7711077

Structure parameters

• Formula: C9 H27 Bi2 I9 S3
• Calculated formula: C9 H27 Bi2 I9 S3
• Title of publication: [SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap
• Authors of publication: Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.9347 ± 0.0013 Å
• b: 33.0271 ± 0.0014 Å
• c: 22.7116 ± 0.0014 Å
• α: 90°
• β: 91.934 ± 0.005°
• γ: 90°
• Cell volume: 14194.8 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1836
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No