Information card for entry 4306633

Structure parameters

• Formula: C32 H32 Cl2 O6 S2 Sb2
• Calculated formula: C32 H32 Cl2 O6 S2 Sb2
• SMILES: [O](=S(C)C)[Sb]12(Cl)Oc3c4Cc5cccc6Cc7cccc8c7O[Sb]([O]1c56)([O]2c1c(Cc3ccc4)cccc1C8)([O]=S(C)C)Cl
• Title of publication: Synthesis and Characterization of Bismuth(III) and Antimony(III) Calixarene Complexes
• Authors of publication: Lihua Liu; Lev N. Zakharov; James A. Golen; Arnold L. Rheingold; Tracy A. Hanna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11143 - 11153
• a: 9.5564 ± 0.0004 Å
• b: 15.8074 ± 0.0007 Å
• c: 11.0846 ± 0.0005 Å
• α: 90°
• β: 98.821 ± 0.001°
• γ: 90°
• Cell volume: 1654.65 ± 0.13 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No