Information card for entry 4316654

Structure parameters

• Formula: C44 H64 N28 O32
• Calculated formula: C44 H64 N28 O32
• Title of publication: Second-Sphere Tethering of Rare-Earth Ions to Cucurbit[6]uril by Iminodiacetic Acid Involving Carboxylic Group Encapsulation
• Authors of publication: Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9078 - 9085
• a: 11.834 ± 0.0006 Å
• b: 14.2897 ± 0.0006 Å
• c: 17.426 ± 0.0007 Å
• α: 86.938 ± 0.003°
• β: 85.903 ± 0.003°
• γ: 84.609 ± 0.002°
• Cell volume: 2923 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No