Information card for entry 7214909

Structure parameters

• Formula: C164 H312 Dy5 N115 O163 S4
• Calculated formula: C164 H185 Dy5 N115 O163 S4
• 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: 25.4155 ± 0.0002 Å
• b: 18.8099 ± 0.0002 Å
• c: 29.8228 ± 0.0003 Å
• α: 90°
• β: 93.6325 ± 0.0006°
• γ: 90°
• Cell volume: 14228.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No