Information card for entry 4335339

Structure parameters

• Formula: C21 H23 Cu N5 O10 U
• Calculated formula: C21 H23 Cu N5 O10 U
• SMILES: [U]123(=O)([O]4[Cu]56([O]1c1c(C(=[N]5CCC[N]6=C(c5c4cccc5)C)C)cccc1)[N]#CC)(=O)(ON(=[O]2)=O)[O]=N(=O)O3
• 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: 11.0318 ± 0.0012 Å
• b: 12.4097 ± 0.0014 Å
• c: 19.319 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2644.8 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No