Information card for entry 2239798

Structure parameters

• Common name: dicaesium thorium nitrate
• Chemical name: Dicaesium hexanitratothorate(IV)
• Formula: Cs2 N6 O18 Th
• Calculated formula: Cs2 N6 O18 Th
• SMILES: [Th]123456(ON(=O)=[O]1)(ON(=O)=[O]2)(ON(=O)=[O]3)(ON(=O)=[O]4)([O]=N(=O)O5)[O]=N(=O)O6.[Cs+].[Cs+]
• Title of publication: Crystal structure of Cs~2~[Th(NO~3~)~6~]
• Authors of publication: Woidy, Patrick; Kraus, Florian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 98 - 100
• a: 8.1259 ± 0.0014 Å
• b: 7.1873 ± 0.0012 Å
• c: 15.583 ± 0.003 Å
• α: 90°
• β: 120.631 ± 0.01°
• γ: 90°
• Cell volume: 783.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes