Information card for entry 7039904

Structure parameters

• Common name: UO2(Salophen)tBu
• Formula: C36.5 H50 N2 O5.5 U
• Calculated formula: C36 H48 N2 O5 U
• SMILES: [U]123([N](c4c([N]1=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)cccc4)=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)(=O)(=O)[OH2]
• Title of publication: Synthesis and electronic structure determination of uranium(vi) ligand radical complexes.
• Authors of publication: Herasymchuk, Khrystyna; Chiang, Linus; Hayes, Cassandra E.; Brown, Matthew L.; Ovens, Jeffrey S.; Patrick, Brian O.; Leznoff, Daniel B.; Storr, Tim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12576 - 12586
• a: 12.9744 ± 0.0006 Å
• b: 17.1766 ± 0.0007 Å
• c: 34.6304 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7717.6 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No