Information card for entry 1512866

Structure parameters

• Formula: C40 H56 N2 O10 U
• Calculated formula: C40 H56 N2 O10 U
• SMILES: [U]12(=O)(=O)(Oc3c(cc(cc3C[NH+](Cc3cc(cc(c3O1)C)C)CCO)C)C)Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O2)C)C)CCO)C)C.O.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: 11.5007 ± 0.0002 Å
• b: 8.2049 ± 0.0001 Å
• c: 21.5198 ± 0.0005 Å
• α: 90°
• β: 92.9907 ± 0.0007°
• γ: 90°
• Cell volume: 2027.89 ± 0.06 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: 0.061
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No