Information card for entry 2008611

Structure parameters

• Common name: Sodium iodide tris(1,4-dioxane)
• Formula: C12 H24 I Na O6
• Calculated formula: C12 H24 I Na O6
• SMILES: [I-].C1OCCOC1.[Na+].C1COCCO1.C1COCCO1
• Title of publication: Sodium tris(1,4-dioxane) iodide
• Authors of publication: Belsky, Vitaly K.; Maslennikova, Vera I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: IUC9900057
• a: 7.507 ± 0.001 Å
• b: 7.507 ± 0.001 Å
• c: 7.507 ± 0.001 Å
• α: 92.29 ± 0.02°
• β: 92.29 ± 0.02°
• γ: 92.29 ± 0.02°
• Cell volume: 422.02 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes