Information card for entry 4335340

Structure parameters

• Formula: C22 H26 Cu N4 O11 U
• Calculated formula: C22 H26 Cu N4 O11 U
• SMILES: [U]123(=O)([O]4[Cu]56([O]1c1ccccc1C(=[N]5CCC[N]6=C(C)c1c4cccc1)C)[O]=C(C)C)([O]=N(=O)O3)(=O)ON(=[O]2)=O
• 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: 11.155 ± 0.004 Å
• b: 12.61 ± 0.005 Å
• c: 18.864 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2653.5 ± 1.7 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: 0.0773
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No