Information card for entry 7214907

Structure parameters

• Formula: C84 H144 Ce2 N56 O69
• Calculated formula: C84 H110 Ce2 N56 O69
• 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: 34.5703 ± 0.0011 Å
• b: 21.2363 ± 0.0006 Å
• c: 21.7315 ± 0.0005 Å
• α: 90°
• β: 127.191 ± 0.0015°
• γ: 90°
• Cell volume: 12709.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No