Information card for entry 7717089

Structure parameters

• Formula: C19 H13 N3 O4 U
• Calculated formula: C19 H13 N3 O4 U
• Title of publication: Controlling Mixed-Valence States of Pyridyldiimino-bis(o-phenolato) Ligand Radical in Uranyl(VI) Complexes
• Authors of publication: Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 6.9774 ± 0.0002 Å
• b: 6.9774 ± 0.0002 Å
• c: 34.432 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1676.29 ± 0.12 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No