Information card for entry 7012880

Structure parameters

• Formula: C54 H90 Na2 O17 U
• Calculated formula: C54 H59 Na2 O17 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: 12.5111 ± 0.0012 Å
• b: 15.2227 ± 0.0015 Å
• c: 16.7853 ± 0.0011 Å
• α: 97.961 ± 0.006°
• β: 106.01 ± 0.006°
• γ: 93.142 ± 0.004°
• Cell volume: 3028.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No