Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566078
Preview
| Coordinates | 1566078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C123 H80 S6 |
|---|---|
| Calculated formula | C123 H80 S6 |
| Title of publication | Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization |
| Authors of publication | Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.8159 ± 0.0002 Å |
| b | 18.1529 ± 0.0004 Å |
| c | 25.9016 ± 0.0005 Å |
| α | 74.817 ± 0.002° |
| β | 83.098 ± 0.002° |
| γ | 82.344 ± 0.002° |
| Cell volume | 4844.88 ± 0.18 Å3 |
| Cell temperature | 100 ± 0.6 K |
| Ambient diffraction temperature | 100 ± 0.6 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1688 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272165 (current) | 2022-01-21 | cif/ Adding structures of 1566073, 1566074, 1566075, 1566076, 1566077, 1566078 via cif-deposit CGI script. |
1566078.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.