Information card for entry 4306635

Structure parameters

• Formula: C40 H56 Bi2 Cl4 Li2 O10 S6
• Calculated formula: C40 H56 Bi2 Cl4 Li2 O10 S6
• SMILES: [Bi]12(Cl)([O]3c4c5cccc4Cc4cccc(c4O2)Cc2cccc4c2[O]1[Bi]3(Oc1c(C4)cccc1C5)(Cl)Cl)Cl.[Li]1([O]=S(C)C)([O]=S(C)C)[O](=S(C)C)[Li]([O]1=S(C)C)([O]=S(C)C)[O]=S(C)C
• 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: 9.8018 ± 0.0005 Å
• b: 11.2845 ± 0.0006 Å
• c: 13.066 ± 0.0007 Å
• α: 90.825 ± 0.001°
• β: 109.361 ± 0.001°
• γ: 99.969 ± 0.001°
• Cell volume: 1338.88 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No