Information card for entry 4312082

Structure parameters

• Formula: C42.68 H64.72 Br Li N4 O9.64
• Calculated formula: C42.68 H61.36 Br Li N4 O9.64
• Title of publication: Selective Solid-Liquid Extraction of Lithium Halide Salts Using a Ditopic Macrobicyclic Receptor
• Authors of publication: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7617 - 7621
• a: 21.7876 ± 0.0009 Å
• b: 25.7171 ± 0.001 Å
• c: 33.3343 ± 0.0013 Å
• α: 90°
• β: 100.73 ± 0.001°
• γ: 90°
• Cell volume: 18351.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No