Information card for entry 1512868

Structure parameters

• Formula: C42 H56 N2 O8 U
• Calculated formula: C42 H56 N2 O8 U
• SMILES: [U]12(=O)(Oc3c(C[NH+](Cc4c(O1)c(cc(c4)C)C)CCCO)cc(cc3C)C)(=O)Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O2)C)C)CCCO)C)C
• 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: 8.795 ± 0.0001 Å
• b: 20.8201 ± 0.0004 Å
• c: 10.9669 ± 0.0002 Å
• α: 90°
• β: 99.156 ± 0.001°
• γ: 90°
• Cell volume: 1982.59 ± 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No