Information card for entry 7063738

Structure parameters

• Formula: C16 H10 B F2 N3
• Calculated formula: C16 H10 B F2 N3
• Title of publication: Synthesis, photophysics and photosensitizing hydrogen evolution of a near-infrared heavy-atom-free sensitizer
• Authors of publication: Lin, Ming-Sui; Nie, Qing-Bin; Chen, Jia-Nan; Liu, Ze-Yu; Wu, Qiao-Yu; Liu, Xiao-Feng; Liu, Chao; Pan, Zhong-Hua; Xiao, Wang-Chuan; Luo, Geng-Geng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 7647 - 7654
• a: 6.9084 ± 0.0013 Å
• b: 19.068 ± 0.003 Å
• c: 10.7534 ± 0.0018 Å
• α: 90°
• β: 94.741 ± 0.017°
• γ: 90°
• Cell volume: 1411.7 ± 0.4 ų
• Cell temperature: 393.15 K
• Ambient diffraction temperature: 393.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No