Information card for entry 7721098

Structure parameters

• Formula: C74 H96 Cl4 N16 O32 Th U2
• Calculated formula: C74 H96 Cl4 N16 O32 Th U2
• 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: 31.6621 ± 0.0012 Å
• b: 19.803 ± 0.0008 Å
• c: 32.2455 ± 0.0011 Å
• α: 90°
• β: 93.924 ± 0.001°
• γ: 90°
• Cell volume: 20170.7 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No