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Information card for entry 2312464
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| Coordinates | 2312464.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ammonium 4-(2-{4-[bis(2-hydroxyethyl)amino]phenyl}diazen-1-yl)benzenesulfonate monohydrate |
|---|---|
| Formula | C16 H24 N4 O6 S |
| Calculated formula | C16 H24 N4 O6 S |
| Title of publication | Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. |
| Authors of publication | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 66 - 79 |
| a | 8.4933 ± 0.0001 Å |
| b | 13.0977 ± 0.0002 Å |
| c | 17.1657 ± 0.0003 Å |
| α | 90.97 ± 0.001° |
| β | 103.18 ± 0.001° |
| γ | 95.132 ± 0.001° |
| Cell volume | 1850.43 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291105 (current) | 2024-04-06 | cif/ Adding structures of 2312461, 2312462, 2312463, 2312464, 2312465, 2312466, 2312467, 2312468, 2312469 via cif-deposit CGI script. |
2312464.cif |
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Users of the data should acknowledge the original authors of the
structural data.