Information card for entry 4342520

Structure parameters

• Formula: C44 H45 Co N4 O10.5 U
• Calculated formula: C44 H45 Co N4 O10.5 U
• 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: 16.5351 ± 0.0008 Å
• b: 13.825 ± 0.0005 Å
• c: 19.8753 ± 0.0007 Å
• α: 90°
• β: 109.815 ± 0.002°
• γ: 90°
• Cell volume: 4274.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No