Information card for entry 7245384

Structure parameters

• Formula: C33 H43 N3 O7 U
• Calculated formula: C33 H43 N3 O7 U
• SMILES: [U]1234(Oc5c(cc(OC)cc5C=[N]3CC[O]2CC[N]4=Cc2c(O1)c(C(C)(C)C)cc(OC)c2)C(C)(C)C)(=O)=O.c1cnccc1
• Title of publication: Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands
• Authors of publication: Takeyama, Tomoyuki; Takao, Koichiro
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 24260 - 24268
• a: 10.1937 ± 0.0001 Å
• b: 13.0886 ± 0.0002 Å
• c: 13.2854 ± 0.0002 Å
• α: 75.103 ± 0.001°
• β: 80.798 ± 0.001°
• γ: 71.79 ± 0.001°
• Cell volume: 1621.06 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No