Information card for entry 4335342

Structure parameters

• Formula: C18.5 H19 Cu N4 O10.5 U
• Calculated formula: C18.5 H19 Cu N4 O10.5 U
• SMILES: [U]123([O]4[Cu]56[O]1c1ccccc1C=[N]5CCC[N]6=Cc1ccccc14)(ON(=[O]2)=O)(=O)(ON(=[O]3)=O)=O.C(=O)(C)C
• Title of publication: Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations
• Authors of publication: Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7508 - 7523
• a: 18.635 ± 0.005 Å
• b: 25.264 ± 0.005 Å
• c: 24.446 ± 0.005 Å
• α: 90°
• β: 125.88 ± 0.013°
• γ: 90°
• Cell volume: 9325 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1179
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No