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Information card for entry 4518916
Preview
| Coordinates | 4518916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C179 H195 Cl9 N12 O4 S6 |
|---|---|
| Calculated formula | C179 H195 Cl9 N12 O4 S6 |
| Title of publication | Development of a Fluorophore with Enhanced Unorthodox Chalcogen Bonding for Highly Sensitive Detection of Trimethyl Arsine Vapor |
| Authors of publication | Cui, Linfeng; Gong, Yanjun; Yu, Xinting; Lv, Chunxiao; Du, Xiaoming; Zhao, Jincai; Che, Yanke |
| Journal of publication | ACS Sensors |
| Year of publication | 2021 |
| a | 19.1376 ± 0.0004 Å |
| b | 19.3087 ± 0.0003 Å |
| c | 22.5989 ± 0.0003 Å |
| α | 90.189 ± 0.001° |
| β | 102.678 ± 0.002° |
| γ | 97.38 ± 0.001° |
| Cell volume | 8075.4 ± 0.2 Å3 |
| Cell temperature | 170 ± 0.13 K |
| Ambient diffraction temperature | 170 ± 0.13 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1169 |
| Residual factor for significantly intense reflections | 0.0965 |
| Weighted residual factors for significantly intense reflections | 0.2712 |
| Weighted residual factors for all reflections included in the refinement | 0.2924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267699 (current) | 2021-07-23 | cif/ Adding structures of 4518916 via cif-deposit CGI script. |
4518916.cif |
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Users of the data should acknowledge the original authors of the
structural data.