Information card for entry 7024907

Structure parameters

• Formula: C5 H24 Na6 O27 U
• Calculated formula: C5 H24 Na6 O27 U
• SMILES: [U]12345(OC(O1)=O)(OC(=O)O2)(OC(=O)O3)(OC(=O)O4)OC(O5)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Comparative investigation of the solution species [U(CO3)5]6- and the crystal structure of Na6[U(CO3)5].12H2O.
• Authors of publication: Hennig, Christoph; Ikeda-Ohno, Atsushi; Emmerling, Fanziska; Kraus, Werner; Bernhard, Gert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3744 - 3750
• a: 9.563 ± 0.002 Å
• b: 9.901 ± 0.002 Å
• c: 13.658 ± 0.003 Å
• α: 90.452 ± 0.003°
• β: 104.692 ± 0.003°
• γ: 95.427 ± 0.003°
• Cell volume: 1244.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1807
• 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: No
• Has Fobs: No