Information card for entry 7113094

Structure parameters

• Formula: C14 H14 Bi Cl O5 S
• Calculated formula: C14 H14 Bi Cl O5 S
• SMILES: [Bi]12([S](Cc3c1cccc3)Cc1c2cccc1)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and structure of an air-stable cationic organobismuth complex and its use as a highly efficient catalyst for the direct diastereoselective Mannich reaction in water.
• Authors of publication: Qiu, Renhua; Yin, Shuangfeng; Zhang, Xiaowen; Xia, Jun; Xu, Xinhua; Luo, Shenglian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 4759 - 4761
• a: 13.8231 ± 0.0017 Å
• b: 11.7666 ± 0.0014 Å
• c: 10.0447 ± 0.0012 Å
• α: 90°
• β: 92.639 ± 0.002°
• γ: 90°
• Cell volume: 1632 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No