Information card for entry 7012881

Structure parameters

• Formula: C53.5 H68.5 K2 N1.5 O10.5 U
• Calculated formula: C54 H56 K2 N O10.5 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: 15.6461 ± 0.0009 Å
• b: 24.2868 ± 0.0015 Å
• c: 14.943 ± 0.0006 Å
• α: 90°
• β: 100.979 ± 0.003°
• γ: 90°
• Cell volume: 5574.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No