Information card for entry 4339379

Structure parameters

• Formula: C30 H52 Cl3 La2 N23 O30
• Calculated formula: C30 H30 Cl3 La2 N23 O30
• 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: 14.777 ± 0.005 Å
• b: 17.19 ± 0.005 Å
• c: 22.242 ± 0.007 Å
• α: 90°
• β: 107.018 ± 0.009°
• γ: 90°
• Cell volume: 5402 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No