Information card for entry 4346459

Structure parameters

• Formula: C95 H112 B2 Cl2 N6 O2 U
• Calculated formula: C95 H112 B2 Cl2 N6 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: 20.681 ± 0.0015 Å
• b: 13.7702 ± 0.001 Å
• c: 30.849 ± 0.002 Å
• α: 90°
• β: 91.769 ± 0.004°
• γ: 90°
• Cell volume: 8781 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2635
• Residual factor for significantly intense reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.3091
• Weighted residual factors for all reflections included in the refinement: 0.3498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No