Information card for entry 4315023

Structure parameters

• Formula: C18 H19 N3 O4 U
• Calculated formula: C18 H19 N3 O4 U
• SMILES: c12ccccc1C=[N]1CC[NH]3[U]41(=O)(=O)(O2)[N](=Cc1c(cccc1)O4)CC3
• Title of publication: Molecular Structure and Electrochemical Behavior of Uranyl(VI) Complex with Pentadentate Schiff Base Ligand: Prevention of Uranyl(V) Cation-Cation Interaction by Fully Chelating Equatorial Coordination Sites
• Authors of publication: Koichiro Takao; Masaru Kato; Shinobu Takao; Akira Nagasawa; Gert Bernhard; Christoph Hennig; Yasuhisa Ikeda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2349 - 2359
• a: 10.464 ± 0.003 Å
• b: 21.617 ± 0.006 Å
• c: 7.976 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1804.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No