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Information card for entry 7250565
Preview
Coordinates | 7250565.cif |
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Original paper (by DOI) | HTML |
Formula | C2.67 H0.67 I0.67 O0.67 S |
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Calculated formula | C2.66667 H0.666667 I0.666667 O0.666667 S |
Title of publication | Oxidation reduces spin-orbital coupling to achieve robust fluorescent emission in halogen substituted dithieno[3,2-b:2′,3′-d]thiophene |
Authors of publication | Liu, Huimin; Zhuang, Zeyan; Hou, Yawen; Zhu, Yujiao; Xu, Ruofeng; Chen, Bin; Hu, Rong; Zhao, Zujin |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2025 |
a | 18.519 ± 0.004 Å |
b | 4.9155 ± 0.001 Å |
c | 12.812 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1166.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.101 |
Weighted residual factors for all reflections included in the refinement | 0.1135 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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300128 (current) | 2025-06-19 | cif/ Adding structures of 7250562, 7250563, 7250564, 7250565 via cif-deposit CGI script. |
7250565.cif |
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Users of the data should acknowledge the original authors of the
structural data.