Information card for entry 1512867

Structure parameters

• Formula: C56 H82 N4 O8 U
• Calculated formula: C56 H82 N4 O8 U
• SMILES: [U]12(Oc3c(C[NH+](Cc4c(O1)c(cc(c4)C(C)(C)C)C)CCO)cc(cc3C)C(C)(C)C)(=O)(=O)Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O2)C)C(C)(C)C)CCO)C(C)(C)C)C.N#CC.N#CC
• 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: 7.186 ± 0.0002 Å
• b: 13.5433 ± 0.0005 Å
• c: 14.3965 ± 0.0005 Å
• α: 92.854 ± 0.002°
• β: 94.564 ± 0.002°
• γ: 92.227 ± 0.002°
• Cell volume: 1393.63 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0306
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No