Information card for entry 2012476

Structure parameters

• Formula: C24 H38 N2 O12 U
• Calculated formula: C24 H38 N2 O12 U
• SMILES: [U]12(Oc3ccccc3OCCOCCOCCOc3c(cccc3)O1)(=O)(=O)(ON(=O)=[O]2)[OH2].[NH+](CC)(CC)CC
• Title of publication: First- and second-~sphere coordination of the uranyl ion by bis[2-(2-hydroxyphenoxy)ethoxy]ethane
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m84 - m86
• a: 15.6688 ± 0.001 Å
• b: 9.6025 ± 0.0005 Å
• c: 9.5303 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1433.93 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes