Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 4100010
Preview
| Coordinates | 4100010.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 | 5.71784 ± 0.00018 Å |
| b | 10.6889 ± 0.0006 Å |
| c | 14.4886 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 885.51 ± 0.1 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 | 0.12976 |
| Goodness-of-fit parameter for all reflections | 0.78 |
| 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 |
Version history
Please log in to view the version history.
All data in the TESTCOD 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.