Information card for entry 4317985

Structure parameters

• Formula: C12 H36 N4 O22 U2
• Calculated formula: C12 H28 N4 O22 U2
• SMILES: C1(=O)C[N]2CC(=O)O[U]32(O1)(=O)(=O)O[U]12([N](CC(=O)O1)CC(=O)O2)(O3)(=O)=O.[NH2+]1CC[NH2+]CC1.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Characterization of Uranyl Compounds with Iminodiacetate and Oxydiacetate Displaying Variable Denticity
• Authors of publication: J. Jiang; M. J. Sarsfield; J. C. Renshaw; F. R. Livens; D. Collison; J. M. Charnock; M. Helliwell; H. Eccles
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2799 - 2806
• a: 7.955 ± 0.009 Å
• b: 24.05 ± 0.008 Å
• c: 8.223 ± 0.006 Å
• α: 90°
• β: 112.24 ± 0.06°
• γ: 90°
• Cell volume: 1456 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0344
• Goodness-of-fit parameter for all reflections: 2.155
• Goodness-of-fit parameter for significantly intense reflections: 2.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No