Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7135125
Preview
| Coordinates | 7135125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,5-dinitrobenzoic acid, 3-aminobenzoic acid, 4,4'-bipyridine |
|---|---|
| Formula | C31 H23 N7 O14 |
| Calculated formula | C31 H23 N7 O14 |
| Title of publication | Design and synthesis of ternary multi-component crystals by sublimation. |
| Authors of publication | Scheepers, Matthew C.; Haynes, Delia A. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 17.8367 ± 0.0005 Å |
| b | 12.2586 ± 0.0003 Å |
| c | 13.8777 ± 0.0004 Å |
| α | 90° |
| β | 90.554 ± 0.002° |
| γ | 90° |
| Cell volume | 3034.26 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1079 |
| Residual factor for significantly intense reflections | 0.0985 |
| Weighted residual factors for significantly intense reflections | 0.2812 |
| Weighted residual factors for all reflections included in the refinement | 0.2869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303078 (current) | 2025-10-29 | cif/ Adding structures of 7135121, 7135122, 7135123, 7135124, 7135125, 7135126, 7135127 via cif-deposit CGI script. |
7135125.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.