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Information card for entry 7250453
Preview
| Coordinates | 7250453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H31 N7 O9 |
|---|---|
| Calculated formula | C33 H31 N7 O9 |
| 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 | 8.214 ± 0.002 Å |
| b | 11.435 ± 0.003 Å |
| c | 17.873 ± 0.005 Å |
| α | 101.983 ± 0.008° |
| β | 96.261 ± 0.008° |
| γ | 101.317 ± 0.008° |
| Cell volume | 1590.5 ± 0.7 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 | 0.1497 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.2227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
7250453.cif |
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Users of the data should acknowledge the original authors of the
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