Information card for entry 1512865

Structure parameters

• Formula: C40 H52 N4 O16 U2
• Calculated formula: C40 H52 N4 O16 U2
• SMILES: [U]123([O]4[U]5([O]2CC[NH+](Cc2c(O1)c(cc(c2)C)C)Cc1cc(cc(c1O)C)C)(=O)(=O)(Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O)C)C)CC4)C)C)ON(=[O]5)=O)(=O)(=O)ON(=[O]3)=O
• Title of publication: Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands
• Authors of publication: Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää
• Journal of publication: Polyhedron
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1223 - 1232
• a: 13.5841 ± 0.0003 Å
• b: 16.3528 ± 0.0004 Å
• c: 21.0204 ± 0.0005 Å
• α: 90°
• β: 106.354 ± 0.002°
• γ: 90°
• Cell volume: 4480.51 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No