Information card for entry 4128533

Structure parameters

• Formula: H4 Li2 N Na O8 S2
• Calculated formula: H4 Li2 N Na O8 S2
• SMILES: [NH4+].[Na+].O=S(=O)([O-])[O-].[Li+].O=S(=O)([O-])[O-].[Li+]
• Title of publication: Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates.
• Authors of publication: Li, Yanqiang; Liang, Fei; Zhao, Sangen; Li, Lina; Wu, Zhenyue; Ding, Qingran; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 3833 - 3837
• a: 27.7435 ± 0.0013 Å
• b: 4.9525 ± 0.0002 Å
• c: 8.2103 ± 0.0004 Å
• α: 90°
• β: 91.246 ± 0.004°
• γ: 90°
• Cell volume: 1127.83 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No