Information card for entry 4335541

Structure parameters

• Formula: C112 H164 Cl8 N4 O12 U2
• Calculated formula: C112 H164 Cl8 N4 O12 U2
• SMILES: O=[U]123(=O)Oc4c(cc(cc4C[NH+](Cc4cc(cc(c4O1)C)C(C)(C)C)CCCCCC[NH+]1Cc4c(O[U]5(=O)(=O)(Oc6c(cc(cc6C[NH+](Cc6cc(cc(c6O5)C)C(C)(C)C)CCCCCC[NH+](Cc5c(O2)c(cc(c5)C(C)(C)C)C)Cc2cc(cc(c2O3)C)C(C)(C)C)C(C)(C)C)C)Oc2c(C1)cc(cc2C)C(C)(C)C)c(cc(c4)C(C)(C)C)C)C(C)(C)C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 13.4717 ± 0.0003 Å
• b: 15.1909 ± 0.0003 Å
• c: 15.4542 ± 0.0003 Å
• α: 103.187 ± 0.001°
• β: 107.466 ± 0.001°
• γ: 91.574 ± 0.001°
• Cell volume: 2921.58 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No