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Information card for entry 4518915
Preview
| Coordinates | 4518915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86.5 H82.85 Cl3.75 N6 O2 Se3 |
|---|---|
| Calculated formula | C86.5 H82.8492 Cl3.75 N6 O2 Se3 |
| 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 | 16.9671 ± 0.0005 Å |
| b | 27.5701 ± 0.0004 Å |
| c | 38.6433 ± 0.0006 Å |
| α | 70.405 ± 0.002° |
| β | 84.524 ± 0.002° |
| γ | 88.416 ± 0.002° |
| Cell volume | 16952 ± 0.7 Å3 |
| Cell temperature | 169.99 ± 0.16 K |
| Ambient diffraction temperature | 169.99 ± 0.16 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 | 0.2044 |
| Residual factor for significantly intense reflections | 0.1447 |
| Weighted residual factors for significantly intense reflections | 0.385 |
| Weighted residual factors for all reflections included in the refinement | 0.4111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.097 |
| 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 |
|---|---|---|---|
| 267698 (current) | 2021-07-23 | cif/ Adding structures of 4518915 via cif-deposit CGI script. |
4518915.cif |
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