Information card for entry 4306638

Structure parameters

• Formula: C56 H68 Bi2 Cl4 Li2 O8
• Calculated formula: C56 H68 Bi2 Cl4 Li2 O8
• SMILES: c12cc(cc3c1[O]([Bi]1([Cl]4)(Cl)[O]5[Bi]6([O]7c8c(cc(cc8Cc8cc(cc(c8[O]16)C2)CC=C)CC=C)Cc1cc(cc(C3)c51)CC=C)([Cl][Li]7([O]1CCCC1)[O]1CCCC1)Cl)[Li]4([O]1CCCC1)[O]1CCCC1)CC=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: 11.2898 ± 0.0018 Å
• b: 17.171 ± 0.003 Å
• c: 15.211 ± 0.002 Å
• α: 90°
• β: 110.594 ± 0.002°
• γ: 90°
• Cell volume: 2760.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No