Information card for entry 7123192

Structure parameters

• Formula: C3 H15 Cl O25 Y8
• Calculated formula: C3 H15 Cl O25 Y8
• Title of publication: Y8O(OH)15(CO3)3Cl: An Excellent Short-Wave UV Nonlinear Optical Material Exhibiting Infrequent Three-Dimensional Inorganic Cationic Framework
• Authors of publication: Zhang, Yiting; Long, Ying; Dong, Xuehua; Wang, Lei; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Wang, Xin; Zou, Guohong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.5089 ± 0.0003 Å
• b: 9.5089 ± 0.0003 Å
• c: 14.673 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1148.97 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No