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Information card for entry 2205221
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| Coordinates | 2205221.cif |
|---|---|
| Structure factors | 2205221.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[diethylenetriaminium(3+)] tris(sulfate) monohydrate |
|---|---|
| Formula | C8 H34 N6 O13 S3 |
| Calculated formula | C8 H34 N6 O13 S3 |
| Title of publication | Bis[diethylenetriaminium(3+)] tris(sulfate) monohydrate |
| Authors of publication | Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 3 |
| Pages of publication | o772 - o773 |
| a | 10.249 ± 0.001 Å |
| b | 13.648 ± 0.001 Å |
| c | 16.082 ± 0.002 Å |
| α | 90° |
| β | 102.045 ± 0.002° |
| γ | 90° |
| Cell volume | 2200 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.074 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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