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Information card for entry 7061535
Preview
Coordinates | 7061535.cif |
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Original paper (by DOI) | HTML |
Formula | C57 H36 Cu F3 N4 O4 S |
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Calculated formula | C57 H36 Cu F3 N4 O4 S |
Title of publication | Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore |
Authors of publication | Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 24 |
Pages of publication | 11835 - 11839 |
a | 9.7994 ± 0.0003 Å |
b | 13.3018 ± 0.0004 Å |
c | 17.3876 ± 0.0004 Å |
α | 76.769 ± 0.002° |
β | 78.23 ± 0.002° |
γ | 89.087 ± 0.002° |
Cell volume | 2158.79 ± 0.11 Å3 |
Cell temperature | 169.99 ± 0.1 K |
Ambient diffraction temperature | 169.99 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0598 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
276637 (current) | 2022-07-06 | cif/ Updating files of 7061532, 7061533, 7061534, 7061535, 7061536 Original log message: Adding full bibliography for 7061532--7061536.cif. |
7061535.cif |
275602 | 2022-05-22 | cif/ Adding structures of 7061532, 7061533, 7061534, 7061535, 7061536 via cif-deposit CGI script. |
7061535.cif |
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Users of the data should acknowledge the original authors of the
structural data.