Information card for entry 7208694

Structure parameters

• Formula: C36 H45 N2 O18.5 S4 U
• Calculated formula: C36 H44 N2 O18.5 S4 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: 11.7485 ± 0.001 Å
• b: 11.7636 ± 0.0012 Å
• c: 16.8054 ± 0.0018 Å
• α: 73.176 ± 0.005°
• β: 89.985 ± 0.007°
• γ: 89.854 ± 0.007°
• Cell volume: 2223.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No