Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228507
Preview
| Coordinates | 7228507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N2 O7 Rb S2 |
|---|---|
| Calculated formula | C14 H11 N2 O7 Rb S2 |
| Title of publication | Ionic Cocrystals of Molecular Saccharin |
| Authors of publication | Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 13.113 ± 0.016 Å |
| b | 6.541 ± 0.008 Å |
| c | 19.17 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1644 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.344 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197898 (current) | 2017-06-17 | cif/ Adding structures of 7228506, 7228507, 7228508, 7228509 via cif-deposit CGI script. |
7228507.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.