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Information card for entry 7135123
Preview
| Coordinates | 7135123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,5-dinitrobenzoic acid, isonicotinamide |
|---|---|
| Formula | C19 H16 N6 O8 |
| Calculated formula | C19 H16 N6 O8 |
| 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 | 8.1848 ± 0.0003 Å |
| b | 10.8341 ± 0.0004 Å |
| c | 12.2177 ± 0.0005 Å |
| α | 71.159 ± 0.002° |
| β | 81.7 ± 0.002° |
| γ | 89.974 ± 0.002° |
| Cell volume | 1013.38 ± 0.07 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 | 0.1878 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| 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. |
7135123.cif |
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