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Information card for entry 7248363
Preview
Coordinates | 7248363.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H11 B F2 N2 O2 S |
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Calculated formula | C15 H11 B F2 N2 O2 S |
Title of publication | Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> 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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
291699 (current) | 2024-05-05 | cif/ Updating files of 7248361, 7248362, 7248363 Original log message: Adding full bibliography for 7248361--7248363.cif. |
7248363.cif |
290708 | 2024-03-29 | cif/ Adding structures of 7248361, 7248362, 7248363 via cif-deposit CGI script. |
7248363.cif |
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Users of the data should acknowledge the original authors of the
structural data.