Information card for entry 4126788

Structure parameters

• Common name: cesium thorium hexanitrate
• Formula: Cs2 N6 O18 Th
• Calculated formula: Cs2 N6 O18 Th
• SMILES: N1(=[O][Th]23456(O1)([O]=N(=O)O2)([O]=N(=O)O3)(ON(=O)=[O]4)(ON(=O)=[O]5)[O]=N(=O)O6)=O.[Cs+].[Cs+]
• 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: 8.131 ± 0.0016 Å
• b: 7.197 ± 0.0014 Å
• c: 13.396 ± 0.003 Å
• α: 90°
• β: 90.8 ± 0.03°
• γ: 90°
• Cell volume: 783.8 ± 0.3 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: 0.0463
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No