Information card for entry 7214910

Structure parameters

• Formula: C102 H228 N64 Nd4 O112 S6
• Calculated formula: C102 H144 N64 Nd4 O112 S6
• 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: 14.2583 ± 0.0007 Å
• b: 15.0998 ± 0.0004 Å
• c: 25.1467 ± 0.0012 Å
• α: 90.052 ± 0.003°
• β: 90.186 ± 0.002°
• γ: 116.19 ± 0.003°
• Cell volume: 4858.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No