Information card for entry 7248363

Structure parameters

• Formula: C15 H11 B F2 N2 O2 S
• Calculated formula: C15 H11 B F2 N2 O2 S
• Title of publication: Mechanistic insights into diversified photoluminescence behaviours of BF₂ complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles.
• Authors of publication: Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 11611 - 11617
• a: 7.157 ± 0.001 Å
• b: 15.248 ± 0.0007 Å
• c: 13.6954 ± 0.0014 Å
• α: 90°
• β: 105.109 ± 0.001°
• γ: 90°
• Cell volume: 1442.9 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.1677
• Weighted residual factors for significantly intense reflections: 0.3992
• Weighted residual factors for all reflections included in the refinement: 0.4063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No