Information card for entry 4303874

Structure parameters

• Common name: Et-3,4-Thiophene-bis-Me-3,2-HOPO, uranyl dimer, methanol solvate
• Formula: C53.33 H77.2 N8 O23.33 S8 U2
• Calculated formula: C53.33 H56 N8 O23.33 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: 12.472 ± 0.005 Å
• b: 16.603 ± 0.007 Å
• c: 18.674 ± 0.007 Å
• α: 101.808 ± 0.006°
• β: 90.613 ± 0.006°
• γ: 109.875 ± 0.006°
• Cell volume: 3546 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.136
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No