Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134125
Preview
| Coordinates | 4134125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H98 Cl6 |
|---|---|
| Calculated formula | C98 H98 Cl6 |
| Title of publication | Hydrocarbon Belts with Truncated Cone Structures. |
| Authors of publication | Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 3 |
| Pages of publication | 1196 - 1199 |
| a | 18.4244 ± 0.0005 Å |
| b | 10.1229 ± 0.0002 Å |
| c | 42.563 ± 0.001 Å |
| α | 90° |
| β | 99.643 ± 0.002° |
| γ | 90° |
| Cell volume | 7826.2 ± 0.3 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 169.99 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1845 |
| Residual factor for significantly intense reflections | 0.1406 |
| Weighted residual factors for significantly intense reflections | 0.3849 |
| Weighted residual factors for all reflections included in the refinement | 0.4208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.421 |
| 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 |
|---|---|---|---|
| 247503 (current) | 2020-02-04 | cif/ Adding structures of 4134125 via cif-deposit CGI script. |
4134125.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.