Information card for entry 2018143

Structure parameters

• Common name: tripotassium ethylenediaminetetraacetate dihydrate
• Chemical name: tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)azaniumyl)acetate dihydrate
• Formula: C10 H17 K3 N2 O10
• Calculated formula: C10 H17 K3 N2 O10
• SMILES: [K+].[K+].[K+].[O-]C(=O)CN(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: 8.074 ± 0.003 Å
• b: 9.987 ± 0.003 Å
• c: 11.045 ± 0.003 Å
• α: 101.68 ± 0.03°
• β: 102.19 ± 0.03°
• γ: 96.85 ± 0.03°
• Cell volume: 840.2 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No