Information card for entry 7245385

Structure parameters

• Formula: C29 H40 Cl2 N2 O6 S U
• Calculated formula: C29 H40 Cl2 N2 O6 S U
• 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: 16.3889 ± 0.0014 Å
• b: 18.8968 ± 0.0009 Å
• c: 10.3557 ± 0.0006 Å
• α: 90°
• β: 98.602 ± 0.007°
• γ: 90°
• Cell volume: 3171.1 ± 0.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No