Information card for entry 4314235

Structure parameters

• Formula: C60 H66 I6 N15 O3 U3
• Calculated formula: C60 H57 I6 N15 O3 U3
• Title of publication: Oxidation Chemistry of Uranium(III) Complexes of Tpa: Synthesis and Structural Studies of Oxo, Hydroxo, and Alkoxo Complexes of Uranium(IV)
• Authors of publication: Lydia Karmazin; Marinella Mazzanti; Jacques Pécaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5900 - 5908
• a: 22.1347 ± 0.0014 Å
• b: 13.8063 ± 0.0009 Å
• c: 25.886 ± 0.0016 Å
• α: 90°
• β: 101.408 ± 0.001°
• γ: 90°
• Cell volume: 7754.4 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No