Information card for entry 2017562

Structure parameters

• Chemical name: dipyridinium dioxidobis(oxydiacetato)uranate(VI)
• Formula: C18 H20 N2 O12 U
• Calculated formula: C18 H20 N2 O12 U
• SMILES: C1(=O)C[O]2[U]3(=O)(=O)(O1)(OC(=O)COCC(=O)O3)OC(=O)C2.c1cccc[nH+]1.c1cccc[nH+]1
• Title of publication: Hydrogen-bonded network structures in dipyridinium, bis(2-methylpyridinium), bis(3-methylpyridinium) and bis(4-methylpyridinium) dioxidobis(oxydiacetato)uranate(VI)
• Authors of publication: Lennartson, Anders; Håkansson, Mikael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m69 - m74
• a: 6.675 ± 0.002 Å
• b: 23.025 ± 0.005 Å
• c: 7.5 ± 0.002 Å
• α: 90°
• β: 110.946 ± 0.011°
• γ: 90°
• Cell volume: 1076.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes