Information card for entry 4501416

Structure parameters

• Formula: C57 H72 Cs2 N24 O43 S3 U2
• Calculated formula: C57 H63 Cs2 N24 O43 S3 U2
• Title of publication: Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril
• Authors of publication: Thuéry, Pierre
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5702
• a: 18.1419 ± 0.0005 Å
• b: 18.9467 ± 0.0005 Å
• c: 24.0974 ± 0.0006 Å
• α: 90°
• β: 94.418 ± 0.002°
• γ: 90°
• Cell volume: 8258.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No