Information card for entry 4336341

Structure parameters

• Formula: Au I4 Na O12
• Calculated formula: Au I4 Na O12
• SMILES: [I](=O)(=O)O[Au](O[I](=O)=O)(O[I](=O)=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: 11.0586 ± 0.0005 Å
• b: 4.402 ± 0.0001 Å
• c: 12.5146 ± 0.0009 Å
• α: 90°
• β: 116.644 ± 0.004°
• γ: 90°
• Cell volume: 544.52 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No