Information card for entry 1512872

Structure parameters

• Formula: C50 H70 N4 O8 U
• Calculated formula: C50 H70 N4 O8 U
• SMILES: [U]12(=O)(Oc3c(cc(cc3C[NH+](Cc3c(O1)c(cc(c3)C)C)CCCCCO)C)C)(=O)Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O2)C)C)CCCCCO)C)C.N#CC.N#CC
• Title of publication: Uranyl ion complexes with long chain aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands
• Authors of publication: Harri Sopo; Ari Väisänen; Reijo Sillanpää
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 184 - 196
• a: 9.1043 ± 0.0003 Å
• b: 10.9246 ± 0.0004 Å
• c: 13.0396 ± 0.0004 Å
• α: 93.197 ± 0.002°
• β: 108.741 ± 0.002°
• γ: 93.142 ± 0.002°
• Cell volume: 1222.62 ± 0.07 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: 0.0283
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No