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Information card for entry 7135121
Preview
| Coordinates | 7135121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,5-dinitrobenzoic acid, isonicotinamide |
|---|---|
| Formula | C13 H10 N4 O7 |
| Calculated formula | C13 H10 N4 O7 |
| 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 | 7.4442 ± 0.0001 Å |
| b | 9.0095 ± 0.0001 Å |
| c | 10.8263 ± 0.0002 Å |
| α | 88.03 ± 0.001° |
| β | 76.686 ± 0.001° |
| γ | 87.558 ± 0.001° |
| Cell volume | 705.721 ± 0.018 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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 |
|---|---|---|---|
| 303078 (current) | 2025-10-29 | cif/ Adding structures of 7135121, 7135122, 7135123, 7135124, 7135125, 7135126, 7135127 via cif-deposit CGI script. |
7135121.cif |
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