Information card for entry 4335542

Structure parameters

• Formula: C122 H178 N10 O12 U2
• Calculated formula: C122 H178 N10 O12 U2
• SMILES: c12c(cc(cc1C[NH+]1Cc3cc(cc(c3O[U]3(=O)(=O)(O2)Oc2c(cc(cc2C[NH+](Cc2cc(cc(c2O3)C)C(C)(C)C)CCCCCCC[NH+]2Cc3c(c(cc(c3)C(C)(C)C)C)O[U]3(=O)(=O)(Oc4c(C2)cc(cc4C)C(C)(C)C)Oc2c(cc(C(C)(C)C)cc2C)C[NH+](CCCCCCC1)Cc1cc(cc(c1O3)C)C(C)(C)C)C(C)(C)C)C)C)C(C)(C)C)C(C)(C)C)C.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors
• Authors of publication: Antti Riisiö; Ari Väisänen; Reijo Sillanpää
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8591 - 8600
• a: 13.436 ± 0.0003 Å
• b: 15.2076 ± 0.0004 Å
• c: 15.1051 ± 0.0005 Å
• α: 98.818 ± 0.001°
• β: 94.714 ± 0.002°
• γ: 95.312 ± 0.002°
• Cell volume: 3022.23 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No