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Information card for entry 7135127
Preview
| Coordinates | 7135127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,5-dinitrobenzoic acid, 3-aminobenzoic acid, isonicotinamide |
|---|---|
| Formula | C20 H17 N5 O9 |
| Calculated formula | C20 H17 N5 O9 |
| 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 | 7.2524 ± 0.0005 Å |
| b | 8.8044 ± 0.0005 Å |
| c | 16.4118 ± 0.001 Å |
| α | 93.805 ± 0.002° |
| β | 91.218 ± 0.002° |
| γ | 94.787 ± 0.002° |
| Cell volume | 1041.61 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1863 |
| Residual factor for significantly intense reflections | 0.092 |
| Weighted residual factors for significantly intense reflections | 0.2541 |
| Weighted residual factors for all reflections included in the refinement | 0.3303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| 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. |
7135127.cif |
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