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Information card for entry 2022187
Preview
| Coordinates | 2022187.cif |
|---|---|
| Structure factors | 2022187.hkl |
| Original paper (by DOI) | HTML |
| Common name | Pigment Red 48 monosodium salt monohydrate |
|---|---|
| Chemical name | Sodium 2-{2-[3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}-4-chloro-5-methylbenzenesulfonate monohydrate |
| Formula | C18 H14 Cl N2 Na O7 S |
| Calculated formula | C18 H14 Cl N2 Na O7 S |
| Title of publication | Two monosodium salt hydrates of Colour Index Pigment Red 48 |
| Authors of publication | Tapmeyer, Lukas; Hill, Steven; Bolte, Michael; Hützler, Wilhelm Maximilian |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| a | 18.2222 ± 0.0002 Å |
| b | 5.9486 ± 0.0001 Å |
| c | 16.9361 ± 0.0002 Å |
| α | 90° |
| β | 92.037 ± 0.001° |
| γ | 90° |
| Cell volume | 1834.66 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1413 |
| Weighted residual factors for all reflections included in the refinement | 0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254056 (current) | 2020-07-07 | cif/ hkl/ Adding structures of 2022186, 2022187 via cif-deposit CGI script. |
2022187.cif 2022187.hkl |
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Users of the data should acknowledge the original authors of the
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