Information card for entry 7043210

Structure parameters

• Formula: C56 H72 Bi4 O10 S8
• Calculated formula: C56 H72 Bi4 O10 S8
• SMILES: C(C)(C)(c1cccs1)O[Bi]1(OC(C)(C)c2sccc2)[O]([Bi](OC(C)(C)c2cccs2)(OC(C)(C)c2sccc2)[O]1[Bi](OC(C)(C)c1sccc1)OC(C)(C)c1sccc1)[Bi](OC(C)(C)c1sccc1)OC(C)(C)c1sccc1
• Title of publication: Heteroaryl Bismuthines: A Novel Synthetic Concept and Metal···π Heteroarene Interaction
• Authors of publication: Mehring, Michael; Preda, Ana Maria; Schneider, Wolfgang B.; Rainer, Martin; Rueffer, Tobias; Schaarschmidt, Dieter; Lang, Heinrich
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.3241 ± 0.0005 Å
• b: 12.9973 ± 0.0008 Å
• c: 14.0496 ± 0.0008 Å
• α: 114.879 ± 0.006°
• β: 101.803 ± 0.005°
• γ: 99.558 ± 0.005°
• Cell volume: 1605.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No