Information card for entry 1576100

Structure parameters

• Formula: C3 H3 N O2 S
• Calculated formula: C3 H3 N O2 S
• Title of publication: Site-Selective Thionation and Doping Enabled Tunable Full-Color Emission in Nonconventional Luminophores
• Authors of publication: Chen, Xiang; Tao, Siyu; Chen, ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang
• Journal of publication: Materials Horizons
• Year of publication: 2025
• a: 7.3097 ± 0.0002 Å
• b: 9.3825 ± 0.0003 Å
• c: 13.1497 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 901.85 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No