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Information card for entry 7228508
Preview
| Coordinates | 7228508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 N2 O6.5 Rb2 S2 |
|---|---|
| Calculated formula | C14 H9 N2 O6.5 Rb2 S2 |
| Title of publication | Ionic Cocrystals of Molecular Saccharin |
| Authors of publication | Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 25.137 ± 0.002 Å |
| b | 9.5401 ± 0.0009 Å |
| c | 14.6473 ± 0.0013 Å |
| α | 90° |
| β | 94.042 ± 0.002° |
| γ | 90° |
| Cell volume | 3503.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197898 (current) | 2017-06-17 | cif/ Adding structures of 7228506, 7228507, 7228508, 7228509 via cif-deposit CGI script. |
7228508.cif |
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Users of the data should acknowledge the original authors of the
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