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Information card for entry 2018142
Preview
| Coordinates | 2018142.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | dipotassium ethylenediaminetetraacetate dihydrate |
|---|---|
| Chemical name | dipotassium 2-({2-[bis(carboxylatomethyl)azaniumyl]ethyl}(carboxylatomethyl)\ azaniumyl)acetate dihydrate |
| Formula | C10 H18 K2 N2 O10 |
| Calculated formula | C10 H18 K2 N2 O10 |
| SMILES | [K+].[K+].[O-]C(=O)C[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.O |
| Title of publication | New coordination modes in potassium edta salts: K~2~[H~2~edta]·2H~2~O, K~3~[Hedta]·2H~2~O and K~4~[edta]·3.92H~2~O |
| Authors of publication | Krawczyk, Monika K.; Lis, Tadeusz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m266 - m274 |
| a | 8.869 ± 0.003 Å |
| b | 18.653 ± 0.005 Å |
| c | 9.613 ± 0.003 Å |
| α | 90° |
| β | 94.56 ± 0.03° |
| γ | 90° |
| Cell volume | 1585.3 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018142.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018142.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018142.cif |
| 22953 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018142, 2018143, 2018144 via cif-deposit CGI script. |
2018142.cif |
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