Information card for entry 7012879

Structure parameters

• Formula: C49 H82 Li2 O18 U
• Calculated formula: C49 H65 Li2 O18 U
• Title of publication: Synthesis and crystal structure of 1:2 mixed uranyl/alkali metal ions (Li+, Na+, K+, Cs+) complexes of p-tert-butyltetrahomodioxacalix[4]arene
• Authors of publication: Pierre Thuéry; Bernardo Masci
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2411 - 2417
• a: 12.5382 ± 0.0011 Å
• b: 19.656 ± 0.002 Å
• c: 23.1 ± 0.0019 Å
• α: 90°
• β: 98.597 ± 0.006°
• γ: 90°
• Cell volume: 5629 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1194
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No