Information card for entry 7130840

Structure parameters

• Formula: B6 F2 H8 N2 O9
• Calculated formula: B6 F2 H8 N2 O9
• Title of publication: A2B6O9F2 (A = NH4, K): New members of A2B6O9F2 family with deep-UV cutoff edge and moderate birefringence
• Authors of publication: Chen, Zilong; Li, Zijian; Chu, Dongdong; Zhang, Fangfang; Li, Xiaojing; Yang, Zhihua; Long, Xifa; Pan, Shilie
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.1553 ± 0.0009 Å
• b: 12.1758 ± 0.0019 Å
• c: 14.5192 ± 0.0017 Å
• α: 90°
• β: 113.443 ± 0.006°
• γ: 90°
• Cell volume: 998.3 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No