Information card for entry 4314237

Structure parameters

• Formula: C19 H21 I3 N4 O U
• Calculated formula: C19 H21 I3 N4 O U
• SMILES: [U]123(I)(I)(I)([n]4c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc4)OC
• 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: 10.4172 ± 0.0005 Å
• b: 17.4441 ± 0.0008 Å
• c: 12.9559 ± 0.0006 Å
• α: 90°
• β: 91.002 ± 0.001°
• γ: 90°
• Cell volume: 2353.97 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No