Information card for entry 7039270

Structure parameters

• Formula: C26 H56 N6 O10 U
• Calculated formula: C26 H56 N6 O10 U
• SMILES: [U]12(=O)(=O)([O]=N(=O)O1)([O]=C(N(CC)CC)N(CC(C)C)CC(C)C)([O]=C(N(CC)CC)N(CC(C)C)CC(C)C)ON(=[O]2)=O
• Title of publication: Selective recognition of uranyl ions from bulk of thorium(iv) and lanthanide(iii) ions by tetraalkyl urea: a combined experimental and quantum chemical study.
• Authors of publication: Vats, Bal Govind; Das, Debasish; Sadhu, Biswajit; Kannan, S.; Pius, I. C.; Noronha, D. M.; Sundararajan, Mahesh; Kumar, Mukesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10319 - 10325
• a: 9.4988 ± 0.0007 Å
• b: 10.8674 ± 0.0009 Å
• c: 18.8816 ± 0.0012 Å
• α: 88.045 ± 0.006°
• β: 79.572 ± 0.006°
• γ: 76.641 ± 0.007°
• Cell volume: 1865 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.155
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No