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Information card for entry 7250454
Preview
| Coordinates | 7250454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33 N5 O7 |
|---|---|
| Calculated formula | C28 H33 N5 O7 |
| Title of publication | Ternary Assembly of Pyrazine 2,3-dicarboxylic acid with a Ditopic-Amine |
| Authors of publication | Singh, Abhay Patap; Baruah, Jubaraj B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 10.504 ± 0.003 Å |
| b | 11.035 ± 0.003 Å |
| c | 12.357 ± 0.004 Å |
| α | 72.607 ± 0.008° |
| β | 81.828 ± 0.009° |
| γ | 87.451 ± 0.009° |
| Cell volume | 1352.9 ± 0.7 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299851 (current) | 2025-05-29 | cif/ Adding structures of 7250453, 7250454 via cif-deposit CGI script. |
7250454.cif |
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Users of the data should acknowledge the original authors of the
structural data.