Information card for entry 7717090

Structure parameters

• Formula: C27.07 H29.15 Cl0.15 N3 O4 U
• Calculated formula: C27 H29 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: 14.1328 ± 0.0007 Å
• b: 17.944 ± 0.0008 Å
• c: 10.8539 ± 0.0004 Å
• α: 90°
• β: 109.71 ± 0.005°
• γ: 90°
• Cell volume: 2591.3 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0755
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No