Information card for entry 4306637

Structure parameters

• Formula: C74 H112 Bi2 Cl4 Li2 O10
• Calculated formula: C74 H112 Bi2 Cl4 Li2 O10
• SMILES: [Bi]12([O]3c4c5cc(cc4Cc4cc(cc6c4O[Bi]3([O]1c1c(cc(cc1Cc1cc(cc(c1O2)C5)C(C)(C)C)C(C)(C)C)C6)(Cl)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C)(Cl)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCCC1
• 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: 12.7418 ± 0.0008 Å
• b: 13.1653 ± 0.0008 Å
• c: 13.6265 ± 0.0009 Å
• α: 114.866 ± 0.001°
• β: 111.926 ± 0.001°
• γ: 90.124 ± 0.001°
• Cell volume: 1889.2 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No