Information card for entry 7245386

Structure parameters

• Formula: C29 H41 Cl2 N3 O6 U
• Calculated formula: C29 H41 Cl2 N3 O6 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: 9.9547 ± 0.0002 Å
• b: 29.1269 ± 0.0005 Å
• c: 11.6812 ± 0.0002 Å
• α: 90°
• β: 106.798 ± 0.002°
• γ: 90°
• Cell volume: 3242.44 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.051
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No