Information card for entry 1572936

Structure parameters

• Formula: C84 H68 B2 N2 S8
• Calculated formula: C84 H68 B2 N2 S8
• 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: 12.5062 ± 0.001 Å
• b: 13.0995 ± 0.0013 Å
• c: 22.288 ± 0.002 Å
• α: 96.768 ± 0.003°
• β: 96.462 ± 0.003°
• γ: 90.512 ± 0.003°
• Cell volume: 3601.9 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No