Information card for entry 4328999

Structure parameters

• Formula: C20 H38 N8 O12 U
• Calculated formula: C20 H38 N8 O12 U
• Title of publication: Steric Effects on Uranyl Complexation: Synthetic, Structural, and Theoretical Studies of Carbamoyl Pyrazole Compounds of the Uranyl(VI) Ion
• Authors of publication: Debasish Das; Shanmugaperumal Kannan; Dilip K. Maity; Michael G. B. Drew
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4869 - 4876
• a: 10.207 ± 0.002 Å
• b: 8.5355 ± 0.0017 Å
• c: 18.095 ± 0.004 Å
• α: 90°
• β: 95.74 ± 0.02°
• γ: 90°
• Cell volume: 1568.6 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No