Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134570
Preview
| Coordinates | 4134570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30.67 H26.67 Cu4 I4 N6 O0.67 P2 |
|---|---|
| Calculated formula | C30.6666 H26.6664 Cu4 I4 N6 O0.6666 P2 |
| Title of publication | Ultrafast Luminescent Light-Up Guest Detection Based on the Lock of the Host Molecular Vibration. |
| Authors of publication | Liu, Chun-Yu; Chen, Xu-Ran; Chen, Hui-Xian; Niu, Zheng; Hirao, Hajime; Braunstein, Pierre; Lang, Jian-Ping |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 30.4981 ± 0.0011 Å |
| b | 30.4981 ± 0.0011 Å |
| c | 11.5146 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9275.2 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249792 (current) | 2020-03-28 | cif/ Adding structures of 4134570, 4134571 via cif-deposit CGI script. |
4134570.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.