Information card for entry 7021542

Structure parameters

• Formula: C18 H14 Bi Cl S
• Calculated formula: C18 H14 Bi Cl S
• SMILES: [Bi]12(Cl)[S](Cc3c1cccc3)Cc1ccc3ccccc3c21
• Title of publication: Synthesis and structures of hypervalent organoantimony and organobismuth chlorides containing asymmetric C,E,C-chelating (E = O, S) ligands.
• Authors of publication: Tan, Nianyuan; Chen, Yi; Yin, Shuang-Feng; Qiu, Renhua; Zhou, Yongbo; Au, C. T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9476 - 9481
• a: 11.694 ± 0.0012 Å
• b: 11.4596 ± 0.0012 Å
• c: 12.434 ± 0.0013 Å
• α: 90°
• β: 110.526 ± 0.002°
• γ: 90°
• Cell volume: 1560.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No