Information card for entry 7208695

Structure parameters

• Formula: C56 H100 Ce2 O64 S8 U
• Calculated formula: C56 H40 Ce2 O64 S8 U
• Title of publication: Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6369
• a: 11.6416 ± 0.0011 Å
• b: 32.87 ± 0.003 Å
• c: 12.0455 ± 0.001 Å
• α: 90°
• β: 90.578 ± 0.006°
• γ: 90°
• Cell volume: 4609.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No