Information card for entry 1572933

Structure parameters

• Formula: C11 H5.5 B0.5 S2
• Calculated formula: C11 H5.5 B0.5 S2
• Title of publication: Multi-Resonance Emitters with Room Temperature Phosphorescence in Amorphous State and Excited by Visible Light
• Authors of publication: Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 13.507 ± 0.001 Å
• b: 7.4267 ± 0.0005 Å
• c: 19.947 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2000.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No