Information card for entry 4126782

Structure parameters

• Common name: potassium thorium hexanitrate
• Formula: K2 N6 O18 Th
• Calculated formula: K2 N6 O18 Th
• SMILES: [K+].N1(=[O][Th]23456(O1)(ON(=O)=[O]2)(ON(=O)=[O]3)([O]=N(=O)O4)(ON(=O)=[O]5)ON(=O)=[O]6)=O.[K+]
• 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: 8.3768 ± 0.0003 Å
• b: 6.6983 ± 0.0002 Å
• c: 12.5535 ± 0.0004 Å
• α: 90°
• β: 92.041 ± 0.0004°
• γ: 90°
• Cell volume: 703.93 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0118
• Residual factor for significantly intense reflections: 0.0099
• Weighted residual factors for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No