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Information card for entry 2005215
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| Coordinates | 2005215.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | calcium o-tolidine-6,6'-disulfonate tetrahydrate |
|---|---|
| Formula | C14 H22 Ca N2 O10 S2 |
| Calculated formula | C14 H22 Ca N2 O10 S2 |
| Title of publication | Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate |
| Authors of publication | Gunderman, B. J.; Squattrito, P. J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 1896 - 1901 |
| a | 9.003 ± 0.003 Å |
| b | 8.896 ± 0.005 Å |
| c | 24.832 ± 0.004 Å |
| α | 90° |
| β | 94.29 ± 0.03° |
| γ | 90° |
| Cell volume | 1983.2 ± 1.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Goodness-of-fit parameter for significantly intense reflections | 1.87 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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