Information card for entry 7021540

Structure parameters

• Formula: C18 H14 Bi Cl O
• Calculated formula: C18 H14 Bi Cl O
• SMILES: [Bi]12(Cl)[O](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: 20.5263 ± 0.0019 Å
• b: 15.856 ± 0.0015 Å
• c: 4.5578 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1483.4 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.019
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No