Information card for entry 4342518

Structure parameters

• Formula: C40 H61 N2 O17.5 U2
• Calculated formula: C40 H58 N2 O17.5 U2
• Title of publication: Uranyl and uranyl-3d block cation complexes with 1,3-adamantanedicarboxylate: crystal structures, luminescence, and magnetic properties.
• Authors of publication: Thuéry, Pierre; Rivière, Eric; Harrowfield, Jack
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2838 - 2850
• a: 12.3331 ± 0.0007 Å
• b: 14.7388 ± 0.0008 Å
• c: 14.9946 ± 0.0008 Å
• α: 111.546 ± 0.002°
• β: 105.075 ± 0.003°
• γ: 106.267 ± 0.003°
• Cell volume: 2223.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No