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Information card for entry 7244805
Preview
| Coordinates | 7244805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H34 N6 O8 S2 |
|---|---|
| Calculated formula | C25 H34 N6 O8 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 | 6.1959 ± 0.0003 Å |
| b | 7.1931 ± 0.0003 Å |
| c | 14.6132 ± 0.0006 Å |
| α | 101.192 ± 0.004° |
| β | 90.032 ± 0.004° |
| γ | 93.056 ± 0.004° |
| Cell volume | 637.94 ± 0.05 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0959 |
| Weighted residual factors for significantly intense reflections | 0.2744 |
| Weighted residual factors for all reflections included in the refinement | 0.2836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.331 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7244805.cif |
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Users of the data should acknowledge the original authors of the
structural data.