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Information card for entry 2008906
Preview
| Coordinates | 2008906.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ammonium di-aquo ethylenediaminetetraacetate scandiumate trihydrate. |
|---|---|
| Formula | C10 H26 N3 O13 Sc |
| Calculated formula | C10 H26 N3 O13 Sc |
| SMILES | [Sc]12345([OH2])([OH2])OC(=O)C[N]1(CC(=O)O2)CC[N]3(CC(=O)O4)CC(=O)O5.O.O.O.[NH4+] |
| Title of publication | Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate |
| Authors of publication | Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1418 - 1420 |
| a | 12.6512 ± 0.001 Å |
| b | 8.708 ± 0.0006 Å |
| c | 17.0124 ± 0.0012 Å |
| α | 90° |
| β | 106.314 ± 0.006° |
| γ | 90° |
| Cell volume | 1798.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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