Information card for entry 4500933

Structure parameters

• Formula: C39.5 H71.5 N24 Na1.5 O52 U6
• Calculated formula: C39.5 H45.5 N24 Na1.5 O52 U6
• Title of publication: Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol
• Authors of publication: Thuéry, Pierre
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3282
• a: 12.549 ± 0.0004 Å
• b: 16.2908 ± 0.001 Å
• c: 21.7839 ± 0.0013 Å
• α: 98.551 ± 0.002°
• β: 105.403 ± 0.003°
• γ: 102.939 ± 0.003°
• Cell volume: 4080.4 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No