Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129557
Preview
| Coordinates | 4129557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PhBBO |
|---|---|
| Formula | C12 H5 N2 O S4 |
| Calculated formula | C12 H5 N2 O S4 |
| Title of publication | The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects. |
| Authors of publication | Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 44 |
| Pages of publication | 14136 - 14148 |
| a | 5.98941 ± 0.00015 Å |
| b | 10.8833 ± 0.0004 Å |
| c | 14.8019 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 964.86 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| RFsqd | 0.12209 |
| Goodness-of-fit parameter for all reflections | 0.76 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.41244 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240254 (current) | 2019-11-25 | cif/ Adding structures of 4129557 via cif-deposit CGI script. |
4129557.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.