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Information card for entry 2018142
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Coordinates | 2018142.cif |
---|---|
Original IUCr paper | HTML |
Common name | dipotassium ethylenediaminetetraacetate dihydrate |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018142.html
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Users of the data should acknowledge the original authors of the
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