Information card for entry 4108981

Structure parameters

• Common name: UO2(Ac)2(Meimid)2 (Ac = CH3COO, Meimid = 1-methyl-imidazole)
• Formula: C12 H18 N4 O6 U
• Calculated formula: C12 H18 N4 O6 U
• SMILES: [U]12([n]3cn(cc3)C)([n]3cn(cc3)C)(=O)(=O)([O]=C(C)O1)[O]=C(C)O2
• Title of publication: Interactions of 1-Methylimidazole with UO2(CH3CO2)2 and UO2(NO3)2: Structural, Spectroscopic, and Theoretical Evidence for Imidazole Binding to the Uranyl Ion
• Authors of publication: Keith E. Gutowski; Violina A. Cocalia; Scott T. Griffin; Nicholas J. Bridges; David A. Dixon; Robin D. Rogers
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 526 - 536
• a: 7.4534 ± 0.0012 Å
• b: 7.9041 ± 0.0013 Å
• c: 7.9896 ± 0.0013 Å
• α: 106.47 ± 0.002°
• β: 93.962 ± 0.003°
• γ: 113.016 ± 0.003°
• Cell volume: 406.72 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No