Information card for entry 4335538

Structure parameters

• Formula: C60 H94 N4 O16 U2
• Calculated formula: C60 H94 N4 O16 U2
• SMILES: c12c(cc(cc2C)C(C)(C)C)C[NH+](Cc2cc(cc(c2O[U]2(=O)(=O)(O1)(ON(=[O]2)=O)[OH]C(C)C)C)C(C)(C)C)CCCCCC[NH+]1Cc2c(c(cc(c2)C(C)(C)C)C)O[U]2(=O)(=O)(Oc3c(C1)cc(cc3C)C(C)(C)C)(ON(O2)=O)[OH]C(C)C
• 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: 11.4371 ± 0.0003 Å
• b: 11.9448 ± 0.0004 Å
• c: 14.2944 ± 0.0004 Å
• α: 110.055 ± 0.003°
• β: 100.201 ± 0.002°
• γ: 108.498 ± 0.003°
• Cell volume: 1647.6 ± 0.11 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: 0.0265
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No