Information card for entry 4501418

Structure parameters

• Formula: C38 H66 N24 O42 S2 U4
• Calculated formula: C38 H66 N24 O42 S2 U4
• 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: 12.0599 ± 0.0005 Å
• b: 12.2791 ± 0.0005 Å
• c: 12.938 ± 0.0006 Å
• α: 68.73 ± 0.002°
• β: 78.639 ± 0.003°
• γ: 75.692 ± 0.003°
• Cell volume: 1717.76 ± 0.13 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: 0.0395
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No