Information card for entry 4128534

Structure parameters

• Formula: H8 Li9 N2 Na3 O28 S7
• Calculated formula: H8 Li9 N2 Na3 O28 S7
• 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: 12.1271 ± 0.0006 Å
• b: 12.1271 ± 0.0006 Å
• c: 4.8365 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 615.99 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No