Information card for entry 1512871

Structure parameters

• Formula: C48 H66 N4 O8 U
• Calculated formula: C48 H66 N4 O8 U
• SMILES: [U]12(Oc3c(cc(cc3C)C)C[NH+](Cc3c(O1)c(cc(c3)C)C)CCCCO)(=O)(=O)Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O2)C)C)CCCCO)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: 8.8922 ± 0.0002 Å
• b: 11.7134 ± 0.0002 Å
• c: 12.2525 ± 0.0003 Å
• α: 74.976 ± 0.001°
• β: 69.694 ± 0.001°
• γ: 79.265 ± 0.001°
• Cell volume: 1149.42 ± 0.04 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: 0.0293
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No