Information card for entry 2016399

Structure parameters

• Chemical name: poly[μ~2~-hydroxido-κ^2^O:O-μ~2~-2-pyridylacetato-κ^3^O,N:O'-\ dioxidouranium(VI)]
• Formula: C7 H7 N O5 U
• Calculated formula: C7 H7 N O5 U
• SMILES: [U]123(=O)(=O)(OC(=O)Cc4[n]1cccc4)[OH][U]1(=O)(=O)([OH]2)OC(Cc2[n]1cccc2)=[O][U]12(=O)(=O)(OC(=O)Cc4[n]1cccc4)[OH][U]1(=O)(=O)([OH]2)OC(Cc2[n]1cccc2)=[O]3
• Title of publication: One-dimensional uranium‒organic framework in <i>catena</i>-poly[[di-μ~2~-hydroxido-bis[dioxouranium(VI)]]-di-μ~2~-2-pyridylacetato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>';κ^3^<i>O</i>:<i>O</i>',<i>N</i>]
• Authors of publication: Thuéry, Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m50 - m52
• a: 6.4056 ± 0.0008 Å
• b: 8.222 ± 0.0006 Å
• c: 9.0916 ± 0.0012 Å
• α: 90.946 ± 0.008°
• β: 96.487 ± 0.006°
• γ: 110.425 ± 0.008°
• Cell volume: 445.04 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0219
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes