Information card for entry 7207869

Structure parameters

• Formula: C44 H104 N26 Nd2 O78 S8 U4
• Calculated formula: C44 H88 N26 Nd2 O78 S8 U4
• 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: 31.3656 ± 0.0007 Å
• b: 14.1509 ± 0.0006 Å
• c: 12.4299 ± 0.0005 Å
• α: 90°
• β: 99.607 ± 0.003°
• γ: 90°
• Cell volume: 5439.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No