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Information card for entry 7244800
Preview
| Coordinates | 7244800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H31 N6 O8 S2 |
|---|---|
| Calculated formula | C24 H31 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 | 6.2266 ± 0.0009 Å |
| b | 7.1344 ± 0.0007 Å |
| c | 14.1593 ± 0.0015 Å |
| α | 97.548 ± 0.009° |
| β | 90.802 ± 0.011° |
| γ | 94.115 ± 0.01° |
| Cell volume | 621.77 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 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 | 0.0903 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.2101 |
| Weighted residual factors for all reflections included in the refinement | 0.222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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. |
7244800.cif |
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Users of the data should acknowledge the original authors of the
structural data.