Information card for entry 4303873

Structure parameters

• Common name: Et-3,4-Thiophene-bis-Me-3,2-HOPO, uranyl dimer
• Formula: C48 H56 N8 O18 S8 U2
• Calculated formula: C48 H56 N8 O18 S8 U2
• Title of publication: Designing the Ideal Uranyl Ligand: a Sterically Induced Speciation Change in Complexes with Thiophene-Bridged Bis(3-hydroxy-N-methylpyridin-2-one)(1)
• Authors of publication: Géza Szigethy; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11489 - 11491
• a: 20.2557 ± 0.0008 Å
• b: 44.6259 ± 0.0018 Å
• c: 13.505 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12207.6 ± 0.9 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No