Information card for entry 7214908

Structure parameters

• Formula: C41 H75 N28 O37 S Yb
• Calculated formula: C41 H51 N28 O37 S Yb
• Title of publication: Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8128
• a: 14.7871 ± 0.0001 Å
• b: 26.7248 ± 0.0003 Å
• c: 16.7471 ± 0.0002 Å
• α: 90°
• β: 90.3591 ± 0.0005°
• γ: 90°
• Cell volume: 6618.03 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No