Information card for entry 4501414

Structure parameters

• Formula: C50 H66 N25 Na O40 S2 U2
• Calculated formula: C50 H52 N25 Na O40 S2 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: 12.3287 ± 0.0005 Å
• b: 12.7531 ± 0.0006 Å
• c: 13.0826 ± 0.0006 Å
• α: 117.076 ± 0.002°
• β: 90.143 ± 0.003°
• γ: 93.097 ± 0.003°
• Cell volume: 1828.01 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No