Information card for entry 4314234

Structure parameters

• Formula: C42 H45 I2 N11 O2 U
• Calculated formula: C42 H45 I2 N11 O2 U
• SMILES: [U]123456(=O)(=O)([n]7c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc7)[n]1c(C[N]6(Cc2[n]4cccc2)Cc2[n]5cccc2)cccc1.[I-].[I-].N#CC.N#CC.N#CC
• 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: 11.4965 ± 0.0003 Å
• b: 11.7012 ± 0.0003 Å
• c: 17.6431 ± 0.0004 Å
• α: 104.52 ± 0.001°
• β: 91.44°
• γ: 91.426 ± 0.001°
• Cell volume: 2295.68 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No