Information card for entry 7044151

Structure parameters

• Formula: C12 H9 Bi S3
• Calculated formula: C12 H9 Bi S3
• Title of publication: The role of dispersion type metal···π interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine
• Authors of publication: Preda, Ana Maria; Schneider, Wolfgang B.; Schaarschmidt, Dieter; Lang, Heinrich; Mertens, Lutz; Auer, Alexander A.; Mehring, Michael
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.459 ± 0.002 Å
• b: 9.459 ± 0.002 Å
• c: 26.619 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2062.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No