Information card for entry 2016002

Structure parameters

• Common name: bis(2-hydroxybenzohydroxamato)dioxouranium(VI) bihydrate
• Chemical name: catena-poly[[[dioxouranium(VI)]-bis(μ-2-hydroxybenzohydroxamato)] dihydrate]
• Formula: C14 H16 N2 O10 U
• Calculated formula: C14 H16 N2 O10 U
• SMILES: [U]123(=O)(=O)(ONC(=[O]1)c1c(O)cccc1)(ONC(=[O]2)c1c(O)cccc1)[O]1[U]2([O]3NC(=[O]2)c2c(O)cccc2)([O]=C(N1)c1c(O)cccc1)(=O)=O.O.O.O.O
• Title of publication: An organouranium coordination polymer containing infinite metal oxide chains
• Authors of publication: Roberto Centore; Gaetano De Tommaso; Mauro Iuliano; Angela Tuzi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m253 - m255
• a: 12.649 ± 0.003 Å
• b: 16.258 ± 0.005 Å
• c: 8.756 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1800.6 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes