Information card for entry 4336340

Structure parameters

• Formula: Au I4 Na O12
• Calculated formula: Au I4 Na O12
• SMILES: O([Au](O[I](=O)=O)(O[I](=O)=O)O[I](=O)=O)[I](=O)=O.[Na+]
• Title of publication: Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates
• Authors of publication: Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11551 - 11562
• a: 5.4792 ± 0.0005 Å
• b: 7.0445 ± 0.0005 Å
• c: 8.1951 ± 0.0009 Å
• α: 105.837 ± 0.008°
• β: 95.241 ± 0.008°
• γ: 110.269 ± 0.008°
• Cell volume: 279.34 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No