Information card for entry 4316656

Structure parameters

• Formula: C43 H72 Eu N27 O35
• Calculated formula: C43 H52 Eu N27 O35
• 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: 13.703 ± 0.0004 Å
• b: 19.3079 ± 0.0003 Å
• c: 24.6247 ± 0.0008 Å
• α: 90°
• β: 101.429 ± 0.002°
• γ: 90°
• Cell volume: 6385.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.2848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No