Information card for entry 4346453

Structure parameters

• Formula: C54 H82 I N4 O2 U
• Calculated formula: C54 H82 I N4 O2 U
• Title of publication: Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.
• Authors of publication: Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9115 - 9126
• a: 13.716 ± 0.0005 Å
• b: 38.9963 ± 0.0018 Å
• c: 9.9102 ± 0.0004 Å
• α: 90°
• β: 96.258 ± 0.002°
• γ: 90°
• Cell volume: 5269.1 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No