Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120830
Preview
| Coordinates | 7120830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 Cu O2 S |
|---|---|
| Calculated formula | C8 H7 Cu O2 S |
| Title of publication | Intrinsic Triple-Emitting 2D Copper Thiolate Coordination Polymer as a Ratiometric Thermometer Working over 400 K Range |
| Authors of publication | Veselska, Oleksandra; Podbevsek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 3.9655 ± 0.0005 Å |
| b | 19.103 ± 0.003 Å |
| c | 5.2888 ± 0.0009 Å |
| α | 90° |
| β | 93.343 ± 0.014° |
| γ | 90° |
| Cell volume | 399.96 ± 0.11 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for all reflections | 0.2356 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9488 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202339 (current) | 2017-10-26 | cif/ Adding structures of 7120830 via cif-deposit CGI script. |
7120830.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.