Information card for entry 4312083

Structure parameters

• Formula: C44 H64 Cl Li N4 O10
• Calculated formula: C44 H64 Cl Li N4 O10
• 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: 10.9083 ± 0.0007 Å
• b: 12.6401 ± 0.0008 Å
• c: 33.139 ± 0.002 Å
• α: 90°
• β: 96.319 ± 0.002°
• γ: 90°
• Cell volume: 4541.5 ± 0.5 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: 0.1497
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.3027
• Weighted residual factors for all reflections included in the refinement: 0.3211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No