Information card for entry 7721096

Structure parameters

• Formula: C37.5 H37 Cl3.5 N10.5 O14.5 Th
• Calculated formula: C35 H32.5 Cl2 N9.5 O14 Th
• Title of publication: Competitive Coordination of Uranium(VI) and Thorium(IV) by Tetradentate Phenanthroline Ligands: Structural and Spectroscopic Investigation of U(VI)-Th(IV) Mixed Ion Pair Formation
• Authors of publication: Gutorova, Svetlana; Matveev, Petr I.; Evsiunina, Mariia V.; Wang, Qiushi; Lemport, Pavel S.; Kalle, Paulina; Koshelev, Daniil S.; Utochnikova, Valentina V.; Averin, Alexey A.; Poliakova, Tatiana R.; Gerasimov, Mikhail A.; Petrov, Vladimir G.; Ustynyuk, Yuri; Kalmykov, Stepan; Nenajdenko, Valentine
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 16.5634 ± 0.0007 Å
• b: 17.5931 ± 0.0007 Å
• c: 20.1553 ± 0.0008 Å
• α: 65.578 ± 0.001°
• β: 75.771 ± 0.001°
• γ: 62.986 ± 0.001°
• Cell volume: 4752.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No