Information card for entry 7214906

Structure parameters

• Formula: C39 H59 Ce N28 O31
• Calculated formula: C39 H50 Ce N28 O31
• 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: 15.2093 ± 0.0005 Å
• b: 11.5727 ± 0.0004 Å
• c: 15.7952 ± 0.0004 Å
• α: 90°
• β: 93.599 ± 0.002°
• γ: 90°
• Cell volume: 2774.67 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No