Information card for entry 4313478

Structure parameters

• Common name: ThPR-Me-3,2-HOPO
• Chemical name: Thorium tetrakis(1-Methyl-2-oxo-4-propylcarbamoyl-1,2-dihydro-pyridin-3-olate)
• Formula: C40 H54 N8 O13 Th
• Calculated formula: C40 H51 N8 O13 Th
• Title of publication: Thorium(IV) Complexes of Bidentate Hydroxypyridinonates1
• Authors of publication: Jide Xu; Donald W. Whisenhunt; Alan C. Veeck; Linda C. Uhlir; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2665 - 2674
• a: 17.125 ± 0.0005 Å
• b: 12.3036 ± 0.0007 Å
• c: 23.8803 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5031.6 ± 0.4 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No