Information card for entry 1512878

Structure parameters

• Formula: C60 H88 N2 O6 U
• Calculated formula: C60 H88 N2 O6 U
• SMILES: [U]12(=O)(Oc3c(cc(cc3C[NH+](Cc3cc(cc(c3O1)C)C(C)(C)C)C1CCCCC1)C(C)(C)C)C)(=O)Oc1c(cc(cc1C[NH+](Cc1cc(cc(c1O2)C)C(C)(C)C)C1CCCCC1)C(C)(C)C)C
• Title of publication: Aminoalkylbis(phenolate) [O,N,O] donor ligands for uranyl(VI) ion coordination: Syntheses, structures, and extraction studies
• Authors of publication: Harri Sopo; Kamal Goljahanpoor; Reijo Sillanpää
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3397 - 3408
• a: 9.9942 ± 0.0002 Å
• b: 25.7977 ± 0.0005 Å
• c: 10.8009 ± 0.0003 Å
• α: 90°
• β: 98.197 ± 0.001°
• γ: 90°
• Cell volume: 2756.32 ± 0.11 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: 0.0764
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No