Information card for entry 7012882

Structure parameters

• Formula: C50 H71.5 Cl1.5 Cs2 O12 U
• Calculated formula: C50 H67 Cl1.5 Cs2 O12 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: 36.118 ± 0.002 Å
• b: 16.2137 ± 0.0009 Å
• c: 23.4909 ± 0.0014 Å
• α: 90°
• β: 121.606 ± 0.004°
• γ: 90°
• Cell volume: 11716 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1306
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No