Information card for entry 7011649

Structure parameters

• Formula: C129 H197 N4 Na2 O18.5
• Calculated formula: C129 H179 N4 Na2 O18.5
• Title of publication: Acid-amide calixarene ligands for uranyl and lanthanide ions: synthesis, structure, coordination and extraction studies
• Authors of publication: Beer, Paul D.; Brindley, Giles D.; Danny Fox, O.; Grieve, Alan; Ogden, Mark I.; Szemes, Fridrich; Drew, Michael G. B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3101
• a: 38.6 ± 0.05 Å
• b: 24.3 ± 0.03 Å
• c: 29.79 ± 0.04 Å
• α: 90°
• β: 99.008 ± 0.01°
• γ: 90°
• Cell volume: 27598 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.252
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2843
• Weighted residual factors for all reflections included in the refinement: 0.3533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No