Information card for entry 4303101

Structure parameters

• Formula: C58 H70 N6 O14 U2
• Calculated formula: C58 H70 N6 O14 U2
• SMILES: C1=Nc2c(cccc2)[N]2[U]3(=O)(=O)(Oc4c1cccc4O)Oc1c(C=2)cccc1O[U]12(=O)(=O)[N](c4c(cccc4)N=Cc4c(c(ccc4)O)O1)=Cc1c(c(ccc1)O3)O2.C(C)[NH+](CC)CC.C(=O)(C)C.C(C)[NH+](CC)CC.C(=O)(C)C
• Title of publication: Recognition of Li+ by a Salophen-UO2 Homodimeric Complex
• Authors of publication: Massimo Cametti; Laura Ilander; Kari Rissanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8632 - 8637
• a: 11.4824 ± 0.0001 Å
• b: 17.2116 ± 0.0003 Å
• c: 29.8556 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5900.38 ± 0.17 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No