Information card for entry 4339378

Structure parameters

• Formula: C30 H44 La2 N26 O35
• Calculated formula: C30 H42 La2 N26 O35
• Title of publication: Interesting anion-inclusion behavior of cucurbit[5]uril and its lanthanide-capped molecular capsule.
• Authors of publication: Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10168 - 10173
• a: 21.657 ± 0.003 Å
• b: 16.618 ± 0.002 Å
• c: 14.12 ± 0.002 Å
• α: 90°
• β: 98.679 ± 0.003°
• γ: 90°
• Cell volume: 5023.5 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No