Information card for entry 4126783

Structure parameters

• Common name: potassium thorium hexanitrate hydrate
• Formula: H9 K3 N10 O33 Th
• Calculated formula: H9 K3 N10 O33 Th
• SMILES: [K+].[O-]N(=O)=O.N1(=[O][Th]23456(O1)([O]=N(=O)O2)(ON(=[O]3)=O)(ON(=[O]4)=O)([O]=N(=O)O5)[O]=N(=O)O6)=O.N(=O)(=O)O.O.[K+].[K+].N(=O)(=O)O.N(=O)(=O)O.O.O
• Title of publication: Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example.
• Authors of publication: Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 15.6745 ± 0.0004 Å
• b: 15.6745 ± 0.0004 Å
• c: 19.1893 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4082.98 ± 0.17 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0093
• Residual factor for significantly intense reflections: 0.0092
• Weighted residual factors for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No