Information card for entry 7207872

Structure parameters

• Formula: C42 H86 N26.5 O66.5 S6 U4 Yb1.5
• Calculated formula: C42 H74 N26.5 O66.5 S6 U4 Yb1.5
• Title of publication: Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3363
• a: 31.1082 ± 0.0012 Å
• b: 14.1633 ± 0.0004 Å
• c: 20.7953 ± 0.0008 Å
• α: 90°
• β: 93.892 ± 0.002°
• γ: 90°
• Cell volume: 9141.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No