Information card for entry 4306632

Structure parameters

• Formula: C63 H100 Bi2 Cl4 Li2 O8
• Calculated formula: C52 H72 Bi2 Cl4 Li2 O8
• SMILES: [O]12[Bi]3(Cl)([O]4c5c6cc(cc5Cc5cc(C(C)(C)C)cc(c15)Cc1cc(cc5c1[O]1[Bi]2([O]3c2c(C5)cc(cc2C6)C(C)(C)C)(Cl)[Cl][Li]12[O](C)CC[O]2C)C(C)(C)C)C(C)(C)C)[Cl][Li]14[O](C)CC[O]1C
• 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: 14.8715 ± 0.0009 Å
• b: 18.8498 ± 0.0012 Å
• c: 12.6806 ± 0.0008 Å
• α: 90°
• β: 112.838 ± 0.001°
• γ: 90°
• Cell volume: 3276 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No