Information card for entry 7033831

Structure parameters

• Formula: C42 H50 N4 O5 U
• Calculated formula: C42 H50 N4 O5 U
• SMILES: [U]123(Oc4c(C=[N]2c2cc5nc6c(nc5cc2[N]3=Cc2cc(cc(C(C)(C)C)c2O1)C(C)(C)C)cccc6)cc(cc4C(C)(C)C)C(C)(C)C)(=O)(=O)[OH2]
• Title of publication: Synthesis, structural characterization, electronic spectroscopy, and microfluidic detection of Cu(+2) and UO2(+2) [di-tert-butyl-salphenazine] complexes.
• Authors of publication: Maynard, B. A.; Brooks, J. C.; Hardy, E. E.; Easley, C. J.; Gorden, A. E. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4428 - 4430
• a: 18.0525 ± 0.0018 Å
• b: 13.4858 ± 0.0013 Å
• c: 20.817 ± 0.002 Å
• α: 90°
• β: 97.379 ± 0.003°
• γ: 90°
• Cell volume: 5026 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No