Information card for entry 7016594

Structure parameters

• Formula: C14 H12 Bi Cl S
• Calculated formula: C14 H12 Bi Cl S
• SMILES: [Bi]12(c3ccccc3C[S]2Cc2ccccc12)Cl
• Title of publication: Effect of butterfly-shaped sulfur-bridged ligand and counter anions on the catalytic activity and diastereoselectivity of organobismuth complexes.
• Authors of publication: Qiu, Renhua; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Qiu, Yimiao; Tan, Nianyuan; Xu, Xinhua; Luo, Shenglian; Dai, Feng-Rong; Au, Chak-Tong; Wong, Wai-Yeung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9482 - 9489
• a: 8.959 ± 0.0006 Å
• b: 9.0096 ± 0.0006 Å
• c: 34.274 ± 0.003 Å
• α: 93.165 ± 0.002°
• β: 93.306 ± 0.001°
• γ: 90.187 ± 0.001°
• Cell volume: 2757.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0714
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No