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Information card for entry 7242973
Preview
| Coordinates | 7242973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H7 I3 N O6 |
|---|---|
| Calculated formula | C14 H7 I3 N O6 |
| Title of publication | A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium |
| Authors of publication | Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 27 |
| Pages of publication | 4840 - 4847 |
| a | 8.9598 ± 0.0005 Å |
| b | 21.9155 ± 0.0011 Å |
| c | 9.5862 ± 0.0005 Å |
| α | 90° |
| β | 116.711 ± 0.001° |
| γ | 90° |
| Cell volume | 1681.46 ± 0.15 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268640 (current) | 2021-09-06 | cif/ Updating files of 7242972, 7242973, 7242974 Original log message: Adding full bibliography for 7242972--7242974.cif. |
7242973.cif |
| 266190 | 2021-06-06 | cif/ Adding structures of 7242972, 7242973, 7242974 via cif-deposit CGI script. |
7242973.cif |
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Users of the data should acknowledge the original authors of the
structural data.