Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233357
Preview
| Coordinates | 7233357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 Br N5 O8 |
|---|---|
| Calculated formula | C26 H18 Br N5 O8 |
| Title of publication | Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines |
| Authors of publication | Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 35 |
| Pages of publication | 5206 |
| a | 8.9809 ± 0.0006 Å |
| b | 7.3118 ± 0.0005 Å |
| c | 38.083 ± 0.003 Å |
| α | 90° |
| β | 94.095 ± 0.001° |
| γ | 90° |
| Cell volume | 2494.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223709 (current) | 2019-11-07 | cif/ Updating files of 7233356, 7233357, 7233358, 7233359, 7233360, 7233361, 7233362, 7233363, 7233364, 7233365 Original log message: Adding full bibliography for 7233356--7233365.cif. |
7233357.cif |
| 217471 | 2019-08-09 | cif/ Adding structures of 7233356, 7233357, 7233358, 7233359, 7233360, 7233361, 7233362, 7233363, 7233364, 7233365 via cif-deposit CGI script. |
7233357.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.