Information card for entry 7043215

Structure parameters

• Formula: C21 H33 Bi S3 Si3
• Calculated formula: C21 H33 Bi S3 Si3
• SMILES: c1(ccc([Si](C)(C)C)s1)[Bi](c1ccc([Si](C)(C)C)s1)c1ccc([Si](C)(C)C)s1
• 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: 41.799 ± 0.003 Å
• b: 6.3123 ± 0.0006 Å
• c: 10.6006 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2796.9 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No