Information card for entry 4342521

Structure parameters

• Formula: C44 H45 N4 Ni O10.5 U
• Calculated formula: C44 H45 N4 Ni 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: 16.4567 ± 0.0009 Å
• b: 13.786 ± 0.0005 Å
• c: 19.9056 ± 0.0011 Å
• α: 90°
• β: 109.587 ± 0.003°
• γ: 90°
• Cell volume: 4254.7 ± 0.4 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: 0.056
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No