Information card for entry 7016592

Structure parameters

• Formula: C18 H14 Bi F9 O4 S2
• Calculated formula: C18 H14 Bi F9 O4 S2
• SMILES: [Bi]12(c3ccccc3C[S]2Cc2ccccc12)[OH2].C(C(C(C(F)(F)F)(F)F)(F)F)(F)(F)S(=O)(=O)[O-]
• 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: 19.5855 ± 0.0016 Å
• b: 11.7682 ± 0.001 Å
• c: 9.9156 ± 0.0008 Å
• α: 90°
• β: 96.034 ± 0.001°
• γ: 90°
• Cell volume: 2272.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No