Information card for entry 1576098

Structure parameters

• Formula: C3 H4 N2 O S
• Calculated formula: C3 H4 N2 O 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: 5.6533 ± 0.0005 Å
• b: 11.5377 ± 0.001 Å
• c: 7.4907 ± 0.0008 Å
• α: 90°
• β: 99.493 ± 0.005°
• γ: 90°
• Cell volume: 481.9 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.0401
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1086
• 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