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Information card for entry 7244802
Preview
| Coordinates | 7244802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H56 N6 O9 S2 |
|---|---|
| Calculated formula | C44 H56 N6 O9 S2 |
| Title of publication | Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules |
| Authors of publication | Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 7.6608 ± 0.0005 Å |
| b | 10.915 ± 0.0007 Å |
| c | 27.573 ± 0.002 Å |
| α | 90° |
| β | 94.659 ± 0.007° |
| γ | 90° |
| Cell volume | 2298 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 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 | 0.089 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.177 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274566 (current) | 2022-04-19 | cif/ Adding structures of 7244800, 7244801, 7244802, 7244803, 7244804, 7244805, 7244806, 7244807, 7244808 via cif-deposit CGI script. |
7244802.cif |
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Users of the data should acknowledge the original authors of the
structural data.